sbuild (Debian sbuild) 0.86.3~bpo12+1 (03 November 2024) on debusine-worker-arm64-demeter-09.freexian.com +==============================================================================+ | lammps 20240207+dfsg-1.1 (arm64) Sat, 16 Nov 2024 20:47:54 +0000 | +==============================================================================+ Package: lammps Version: 20240207+dfsg-1.1 Source Version: 20240207+dfsg-1.1 Distribution: sid Machine Architecture: arm64 Host Architecture: arm64 Build Architecture: arm64 Build Type: binary I: No tarballs found in /var/lib/debusine/worker/.cache/sbuild Unpacking /var/lib/debusine/worker/system-images/957781/system.tar.xz to /tmp/tmp.sbuild.Sr86gglmCY... I: NOTICE: Log filtering will replace 'sbuild-unshare-dummy-location' with '<>' +------------------------------------------------------------------------------+ | Chroot Setup Commands | +------------------------------------------------------------------------------+ rm -f /etc/resolv.conf ---------------------- I: Finished running 'rm -f /etc/resolv.conf'. Finished processing commands. -------------------------------------------------------------------------------- Copying /tmp/debusine-fetch-exec-upload-las_kl7h/dpkg-dbgsym_1.22.12~1.gbp82cafd_arm64.deb to /<>... Copying /tmp/debusine-fetch-exec-upload-las_kl7h/dpkg_1.22.12~1.gbp82cafd_arm64.deb to /<>... Copying /tmp/debusine-fetch-exec-upload-las_kl7h/dselect-dbgsym_1.22.12~1.gbp82cafd_arm64.deb to /<>... Copying /tmp/debusine-fetch-exec-upload-las_kl7h/dselect_1.22.12~1.gbp82cafd_arm64.deb to /<>... Copying /tmp/debusine-fetch-exec-upload-las_kl7h/libdpkg-dev_1.22.12~1.gbp82cafd_arm64.deb to /<>... Copying /tmp/debusine-fetch-exec-upload-las_kl7h/dpkg-dev_1.22.12~1.gbp82cafd_all.deb to /<>... Copying /tmp/debusine-fetch-exec-upload-las_kl7h/libdpkg-perl_1.22.12~1.gbp82cafd_all.deb to /<>... I: NOTICE: Log filtering will replace 'build/lammps-LCMuVN/resolver-YYmsAd' with '<>' +------------------------------------------------------------------------------+ | Update chroot | +------------------------------------------------------------------------------+ Get:1 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ InRelease Ign:1 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ InRelease Get:2 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ Release [606 B] Get:3 http://deb.debian.org/debian sid InRelease [202 kB] Get:2 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ Release [606 B] Get:4 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ Release.gpg Ign:4 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ Release.gpg Get:5 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ Packages [9246 B] Get:6 http://deb.debian.org/debian sid/main arm64 Packages [9952 kB] Get:7 http://deb.debian.org/debian sid/main arm64 Components [4909 kB] Fetched 15.1 MB in 2s (6402 kB/s) Reading package lists... Reading package lists... Building dependency tree... Reading state information... Calculating upgrade... The following packages will be upgraded: apt bsdextrautils bsdutils debianutils dpkg dpkg-dev libapt-pkg6.0t64 libaudit-common libaudit1 libblkid1 libbrotli1 libcap-ng0 libdpkg-perl libglib2.0-0t64 libmarkdown2 libmount1 libpcre2-8-0 libseccomp2 libselinux1 libsemanage2 libsmartcols1 libsystemd0 libudev1 libuuid1 libxml2 login login.defs mount passwd util-linux 30 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. Need to get 9274 kB/12.8 MB of archives. After this operation, 603 kB disk space will be freed. Get:1 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ dpkg 1.22.12~1.gbp82cafd [1513 kB] Get:2 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ dpkg-dev 1.22.12~1.gbp82cafd [1337 kB] Get:3 file:/build/lammps-LCMuVN/resolver-XhmlCC/apt_archive ./ libdpkg-perl 1.22.12~1.gbp82cafd [647 kB] Get:4 http://deb.debian.org/debian sid/main arm64 bsdutils arm64 1:2.40.2-11 [104 kB] Get:5 http://deb.debian.org/debian sid/main arm64 debianutils arm64 5.21 [92.1 kB] Get:6 http://deb.debian.org/debian sid/main arm64 libsystemd0 arm64 257~rc2-3 [416 kB] Get:7 http://deb.debian.org/debian sid/main arm64 libudev1 arm64 257~rc2-3 [139 kB] Get:8 http://deb.debian.org/debian sid/main arm64 libapt-pkg6.0t64 arm64 2.9.11 [921 kB] Get:9 http://deb.debian.org/debian sid/main arm64 bsdextrautils arm64 2.40.2-11 [91.2 kB] Get:10 http://deb.debian.org/debian sid/main arm64 libblkid1 arm64 2.40.2-11 [162 kB] Get:11 http://deb.debian.org/debian sid/main arm64 libmount1 arm64 2.40.2-11 [190 kB] Get:12 http://deb.debian.org/debian sid/main arm64 libsmartcols1 arm64 2.40.2-11 [135 kB] Get:13 http://deb.debian.org/debian sid/main arm64 mount arm64 2.40.2-11 [153 kB] Get:14 http://deb.debian.org/debian sid/main arm64 libuuid1 arm64 2.40.2-11 [35.7 kB] Get:15 http://deb.debian.org/debian sid/main arm64 util-linux arm64 2.40.2-11 [1170 kB] Get:16 http://deb.debian.org/debian sid/main arm64 libpcre2-8-0 arm64 10.44-4 [243 kB] Get:17 http://deb.debian.org/debian sid/main arm64 libselinux1 arm64 3.7-3+b1 [72.1 kB] Get:18 http://deb.debian.org/debian sid/main arm64 libseccomp2 arm64 2.5.5-1+b3 [46.8 kB] Get:19 http://deb.debian.org/debian sid/main arm64 apt arm64 2.9.11 [1287 kB] Get:20 http://deb.debian.org/debian sid/main arm64 libaudit-common all 1:4.0.2-2 [12.7 kB] Get:21 http://deb.debian.org/debian sid/main arm64 libcap-ng0 arm64 0.8.5-3+b1 [17.0 kB] Get:22 http://deb.debian.org/debian sid/main arm64 libaudit1 arm64 1:4.0.2-2 [54.2 kB] Get:23 http://deb.debian.org/debian sid/main arm64 login arm64 1:4.16.0-2+really2.40.2-11 [80.0 kB] Get:24 http://deb.debian.org/debian sid/main arm64 login.defs all 1:4.16.0-5 [185 kB] Get:25 http://deb.debian.org/debian sid/main arm64 libsemanage2 arm64 3.7-2+b1 [84.5 kB] Get:26 http://deb.debian.org/debian sid/main arm64 passwd arm64 1:4.16.0-5 [1210 kB] Get:27 http://deb.debian.org/debian sid/main arm64 libbrotli1 arm64 1.1.0-2+b6 [297 kB] Get:28 http://deb.debian.org/debian sid/main arm64 libglib2.0-0t64 arm64 2.82.2-3 [1411 kB] Get:29 http://deb.debian.org/debian sid/main arm64 libmarkdown2 arm64 2.2.7-2.1 [33.1 kB] Get:30 http://deb.debian.org/debian sid/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.2+b1 [630 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 9274 kB in 0s (44.6 MB/s) (Reading database ... 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Setting up login.defs (1:4.16.0-5) ... Installing new version of config file /etc/login.defs ... Setting up libbrotli1:arm64 (1.1.0-2+b6) ... Setting up libglib2.0-0t64:arm64 (2.82.2-3) ... No schema files found: doing nothing. Setting up libdpkg-perl (1.22.12~1.gbp82cafd) ... Setting up mount (2.40.2-11) ... Setting up libsemanage2:arm64 (3.7-2+b1) ... Setting up libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.2+b1) ... Setting up libmarkdown2:arm64 (2.2.7-2.1) ... Setting up login (1:4.16.0-2+really2.40.2-11) ... Setting up dpkg-dev (1.22.12~1.gbp82cafd) ... Setting up passwd (1:4.16.0-5) ... Processing triggers for man-db (2.13.0-1) ... Processing triggers for libc-bin (2.40-3) ... +------------------------------------------------------------------------------+ | Fetch source files | +------------------------------------------------------------------------------+ Local sources ------------- /tmp/debusine-fetch-exec-upload-las_kl7h/lammps_20240207+dfsg-1.1.dsc exists in /tmp/debusine-fetch-exec-upload-las_kl7h; copying to chroot I: NOTICE: Log filtering will replace 'build/lammps-LCMuVN/lammps-20240207+dfsg' with '<>' I: NOTICE: Log filtering will replace 'build/lammps-LCMuVN' with '<>' +------------------------------------------------------------------------------+ | Install package build dependencies | +------------------------------------------------------------------------------+ Setup apt archive ----------------- Merged Build-Depends: dpkg-dev (>= 1.22.5), cmake, debhelper-compat (= 13), dh-python, pybuild-plugin-pyproject, gfortran | fortran-compiler, libavcodec-dev, libeigen3-dev, libfftw3-dev, libhdf5-mpi-dev, libjpeg-dev, libkim-api-dev, libnetcdf-dev, libpnetcdf-dev, libsymspg-dev, libvtk9-dev, libvtk9-qt-dev, mpi-default-bin, mpi-default-dev, ocl-icd-opencl-dev | opencl-dev, python3-all-dev, python3-sphinx, voro++-dev, build-essential, fakeroot, libjs-sphinxdoc, libjs-jquery, libjs-mathjax, libjs-underscore, texlive-latex-recommended, texlive-fonts-recommended, texlive-latex-extra, tex-gyre, doxygen, sphinx-rtd-theme-common, latexmk, htmldoc, python3-sphinx-tabs, python3-sphinxcontrib.jquery, python3-sphinxcontrib.spelling, python3-breathe, python3-venv, git Filtered Build-Depends: dpkg-dev (>= 1.22.5), cmake, debhelper-compat (= 13), dh-python, pybuild-plugin-pyproject, gfortran, libavcodec-dev, libeigen3-dev, libfftw3-dev, libhdf5-mpi-dev, libjpeg-dev, libkim-api-dev, libnetcdf-dev, libpnetcdf-dev, libsymspg-dev, libvtk9-dev, libvtk9-qt-dev, mpi-default-bin, mpi-default-dev, ocl-icd-opencl-dev, python3-all-dev, python3-sphinx, voro++-dev, build-essential, fakeroot, libjs-sphinxdoc, libjs-jquery, libjs-mathjax, libjs-underscore, texlive-latex-recommended, texlive-fonts-recommended, texlive-latex-extra, tex-gyre, doxygen, sphinx-rtd-theme-common, latexmk, htmldoc, python3-sphinx-tabs, python3-sphinxcontrib.jquery, python3-sphinxcontrib.spelling, python3-breathe, python3-venv, git dpkg-deb: warning: root directory has unusual owner or group 998:999. Hint: either pass --root-owner-group, see dpkg-build-api(7) or add an explicit 'Rules-Requires-Root: no' in debian/control. dpkg-deb: warning: ignoring 1 warning about the control file(s) dpkg-deb: building package 'sbuild-build-depends-main-dummy' in '/<>/apt_archive/sbuild-build-depends-main-dummy.deb'. Ign:1 copy:/<>/apt_archive ./ InRelease Get:2 copy:/<>/apt_archive ./ Release [615 B] Ign:3 copy:/<>/apt_archive ./ Release.gpg Get:4 copy:/<>/apt_archive ./ Sources [1397 B] Get:5 copy:/<>/apt_archive ./ Packages [1311 B] Fetched 3323 B in 0s (270 kB/s) Reading package lists... Get:1 file:/<>/resolver-XhmlCC/apt_archive ./ InRelease Ign:1 file:/<>/resolver-XhmlCC/apt_archive ./ InRelease Get:2 file:/<>/resolver-XhmlCC/apt_archive ./ Release [606 B] Get:2 file:/<>/resolver-XhmlCC/apt_archive ./ Release [606 B] Get:3 file:/<>/resolver-XhmlCC/apt_archive ./ Release.gpg Ign:3 file:/<>/resolver-XhmlCC/apt_archive ./ Release.gpg Reading package lists... Reading package lists... Install main build dependencies (apt-based resolver) ---------------------------------------------------- Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following additional packages will be installed: adduser adwaita-icon-theme at-spi2-common autoconf automake autopoint autotools-dev build-essential ca-certificates-java cfortran cmake cmake-data comerr-dev cpp cpp-14 cpp-14-aarch64-linux-gnu cpp-aarch64-linux-gnu dbus dbus-bin dbus-daemon dbus-session-bus-common dbus-system-bus-common dbus-user-session dconf-gsettings-backend dconf-service debhelper default-jdk default-jdk-headless default-jre default-jre-headless default-libmysqlclient-dev dh-autoreconf dh-python dh-strip-nondeterminism dictionaries-common docutils-common doxygen dwz emacsen-common fakeroot fontconfig fontconfig-config fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome fonts-lato fonts-lmodern fonts-mathjax g++ g++-14 g++-14-aarch64-linux-gnu g++-aarch64-linux-gnu gcc gcc-14 gcc-14-aarch64-linux-gnu gcc-aarch64-linux-gnu gdal-data gdal-plugins gfortran gfortran-14 gfortran-14-aarch64-linux-gnu gfortran-aarch64-linux-gnu git git-man graphviz gtk-update-icon-cache hdf5-helpers hicolor-icon-theme htmldoc htmldoc-common hunspell-en-us ibverbs-providers icu-devtools java-common krb5-multidev latexmk libabsl20230802 libaec-dev libaec0 libamd-comgr2 libamdhip64-5 libann0 libaom3 libapache-pom-java libapparmor1 libarchive13t64 libarmadillo-dev libarmadillo14 libarpack2-dev libarpack2t64 libasan8 libasound2-data libasound2t64 libaspell15 libatk-bridge2.0-0t64 libatk1.0-0t64 libatspi2.0-0t64 libavahi-client3 libavahi-common-data libavahi-common3 libavcodec-dev libavcodec61 libavformat-dev libavformat61 libavif16 libavutil-dev libavutil59 libblas-dev libblas3 libblosc-dev libblosc1 libbluray2 libboost-dev libboost1.83-dev libbrotli-dev libbz2-dev libc-dev-bin libc6-dev libcairo-gobject2 libcairo2 libcap2-bin libcbor0.10 libcc1-0 libcdt5 libcfitsio-dev libcfitsio10t64 libcgraph6 libchromaprint1 libcjson1 libclang-cpp19 libclang1-19 libcloudproviders0 libcodec2-1.2 libcolord2 libcommons-logging-java libcommons-parent-java libcrypt-dev 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xfonts-encodings xfonts-utils xkb-data xml-core xorg-sgml-doctools xtrans-dev zlib1g-dev Suggested packages: liblocale-gettext-perl cron quota adwaita-icon-theme-legacy autoconf-archive gnu-standards autoconf-doc cmake-doc cmake-format elpa-cmake-mode ninja-build doc-base cpp-doc gcc-14-locales cpp-14-doc dh-make flit ispell | aspell | hunspell wordlist doxygen-latex doxygen-doc doxygen-gui gcc-14-doc gcc-multilib manpages-dev flex bison gdb gcc-doc gdb-aarch64-linux-gnu gfortran-doc gfortran-14-doc libcoarrays-dev git-daemon-run | git-daemon-sysvinit git-doc git-email git-gui gitk gitweb git-cvs git-mediawiki git-svn gsfonts graphviz-doc hunspell openoffice.org-hunspell | openoffice.org-core krb5-doc ghostscript lrzip libitpp-dev alsa-utils libasound2-plugins aspell libcuda1 libnvcuvid1 libnvidia-encode1 liblapack-doc libbluray-bdj libboost-doc libboost1.83-doc libboost-atomic1.83-dev libboost-chrono1.83-dev libboost-container1.83-dev libboost-context1.83-dev libboost-contract1.83-dev 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libgdal-doc libgeotiff-epsg geotiff-bin gdal-bin glew-utils gmp-doc libgmp10-doc libmpfr-dev dns-root-data gnutls-bin gnutls-doc krb5-user libvisual-0.4-plugins gstreamer1.0-tools gvfs hdf4-tools libhdf5-doc libheif-plugin-ffmpegdec libheif-plugin-jpegdec libheif-plugin-jpegenc libheif-plugin-j2kdec libheif-plugin-j2kenc libheif-plugin-kvazaar libheif-plugin-rav1e libheif-plugin-svtenc libice-doc icu-doc libjs-jquery-ui-docs fonts-mathjax-extras fonts-stix libjs-mathjax-doc liblcms2-utils libtool-doc liblzma-doc libmpfi-doc netcdf-bin netcdf-doc libnghttp2-doc odbc-postgresql tdsodbc ogdi-bin openmpi-doc opus-tools p11-kit-doc libcryptsetup12 libtss2-rc0t64 pciutils pcscd gpgsm postgresql-doc-17 proj-bin qgnomeplatform-qt5 qt5-image-formats-plugins librsvg2-bin lm-sensors libsm-doc speex sqlite3-doc libssl-doc libstdc++-14-doc libsuperlu-doc libbpf1 libip4tc2 libpwquality1 libqrencode4 libtbb-doc gcj-jdk vtk9-doc vtk9-examples java-virtual-machine libwacom-bin libx11-doc xapian-tools libxcb-doc libxerces-c-doc libxext-doc libxt-doc m4-doc opencl-icd opencl-clhpp-headers-doc openjdk-21-demo openjdk-21-source visualvm libnss-mdns fonts-dejavu-extra fonts-ipafont-gothic fonts-ipafont-mincho fonts-wqy-microhei | fonts-wqy-zenhei fonts-indic keychain libpam-ssh monkeysphere ssh-askpass libmail-box-perl python3-doc python3-tk breathe-doc python3-pip python-build-doc python-charset-normalizer-doc docutils-doc fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french python-installer-doc python-jinja2-doc python3-numpy python-pygments-doc ttf-bitstream-vera python3-cryptography python3-openssl python3-socks python-requests-doc python-setuptools-doc python3-stemmer dvipng dvisvgm fonts-freefont-otf imagemagick-6.q16 python3-sphinx-rtd-theme sphinx-doc texlive-fonts-extra texlive-plain-generic python3-sphinx-tabs-doc python3-brotli mayavi2 python3.12-doc binfmt-support python3.13-venv python3.13-doc qt5-doc firebird-dev sgml-base-doc systemd-container systemd-homed systemd-userdbd systemd-boot systemd-resolved systemd-repart libtss2-tcti-device0 polkitd tcl-doc tcl-tclreadline tcl8.6-doc gv | postscript-viewer perl-tk xpdf | pdf-viewer xzdec texlive-binaries-sse2 hintview texlive-fonts-recommended-doc texlive-latex-base-doc wp2latex icc-profiles libfile-which-perl texlive-latex-extra-doc texlive-science texlive-latex-recommended-doc texlive-luatex texlive-pstricks dot2tex prerex texlive-pictures-doc vprerex tk-doc tk8.6-doc Recommended packages: librsvg2-common less fonts-liberation xpdf | pdf-viewer gv | postscript-viewer alsa-ucm-conf alsa-topology-conf aspell-en | aspell-dictionary | aspell6a-dictionary at-spi2-core libaacs0 bzip2-doc manpages manpages-dev libpam-cap libcfitsio-doc enchant-2 libarchive-cpio-perl proj-bin libgdk-pixbuf2.0-bin dirmngr gpg-agent gpg-wks-client gpgsm gstreamer1.0-plugins-base libgtk-3-bin libgts-bin libheif-plugin-x265 libheif-plugin-aomenc javascript-common libjson-xs-perl libgpm2 libcoarrays-openmpi-dev libpng-tools poppler-data qttranslations5-l10n libqt5svg5 qt5-gtk-platformtheme qtwayland5 geoclue-2.0 libkmod2 libtasn1-doc va-driver-all | va-driver vdpau-driver-all | vdpau-driver mesa-vulkan-drivers | vulkan-icd libatk-wrapper-java-jni fonts-dejavu-extra xauth libmail-sendmail-perl psmisc linux-sysctl-defaults python3-pil systemd-timesyncd | time-daemon systemd-cryptsetup libnss-systemd fonts-texgyre fonts-texgyre-math lmodern dvisvgm tipa libspreadsheet-parseexcel-perl texlive-plain-generic ruby libfile-mimeinfo-perl libnet-dbus-perl libx11-protocol-perl x11-utils x11-xserver-utils The following NEW packages will be installed: adduser adwaita-icon-theme at-spi2-common autoconf automake autopoint autotools-dev build-essential ca-certificates-java cfortran cmake cmake-data comerr-dev cpp cpp-14 cpp-14-aarch64-linux-gnu cpp-aarch64-linux-gnu dbus dbus-bin dbus-daemon dbus-session-bus-common dbus-system-bus-common dbus-user-session dconf-gsettings-backend dconf-service debhelper default-jdk default-jdk-headless default-jre default-jre-headless default-libmysqlclient-dev dh-autoreconf dh-python dh-strip-nondeterminism dictionaries-common docutils-common doxygen dwz emacsen-common fakeroot fontconfig fontconfig-config fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome fonts-lato fonts-lmodern fonts-mathjax g++ g++-14 g++-14-aarch64-linux-gnu g++-aarch64-linux-gnu gcc gcc-14 gcc-14-aarch64-linux-gnu gcc-aarch64-linux-gnu gdal-data gdal-plugins gfortran gfortran-14 gfortran-14-aarch64-linux-gnu gfortran-aarch64-linux-gnu git git-man graphviz gtk-update-icon-cache hdf5-helpers hicolor-icon-theme htmldoc htmldoc-common hunspell-en-us ibverbs-providers icu-devtools java-common krb5-multidev latexmk libabsl20230802 libaec-dev libaec0 libamd-comgr2 libamdhip64-5 libann0 libaom3 libapache-pom-java libapparmor1 libarchive13t64 libarmadillo-dev libarmadillo14 libarpack2-dev libarpack2t64 libasan8 libasound2-data libasound2t64 libaspell15 libatk-bridge2.0-0t64 libatk1.0-0t64 libatspi2.0-0t64 libavahi-client3 libavahi-common-data libavahi-common3 libavcodec-dev libavcodec61 libavformat-dev libavformat61 libavif16 libavutil-dev libavutil59 libblas-dev libblas3 libblosc-dev libblosc1 libbluray2 libboost-dev libboost1.83-dev libbrotli-dev libbz2-dev libc-dev-bin libc6-dev libcairo-gobject2 libcairo2 libcap2-bin libcbor0.10 libcc1-0 libcdt5 libcfitsio-dev libcfitsio10t64 libcgraph6 libchromaprint1 libcjson1 libclang-cpp19 libclang1-19 libcloudproviders0 libcodec2-1.2 libcolord2 libcommons-logging-java libcommons-parent-java libcrypt-dev libcups2t64 libcurl4-openssl-dev libcurl4t64 libdatrie1 libdav1d7 libdbus-1-3 libdconf1 libde265-0 libdebhelper-perl libdeflate-dev libdeflate0 libdouble-conversion-dev libdouble-conversion3 libdrm-amdgpu1 libdrm-common libdrm-radeon1 libdrm2 libdvdnav4 libdvdread8t64 libdw1t64 libedit2 libegl-dev libegl-mesa0 libegl1 libeigen3-dev libelf1t64 libenchant-2-2 libepoxy0 liberror-perl libevdev2 libevent-2.1-7t64 libevent-core-2.1-7t64 libevent-dev libevent-extra-2.1-7t64 libevent-openssl-2.1-7t64 libevent-pthreads-2.1-7t64 libexpat1 libexpat1-dev libfabric1 libfakeroot libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 libfftw3-single3 libfido2-1 libfile-stripnondeterminism-perl libfltk-images1.3t64 libfltk1.3t64 libfmt10 libfontbox-java libfontconfig-dev libfontconfig1 libfontconfig1-dev libfontenc1 libfreetype-dev libfreetype6 libfreexl-dev libfreexl1 libfribidi0 libfyba-dev libfyba0t64 libgav1-1 libgbm1 libgcc-14-dev libgd3 libgdal-dev libgdal35 libgdk-pixbuf-2.0-0 libgdk-pixbuf2.0-common libgeos-c1t64 libgeos-dev libgeos3.13.0 libgeotiff-dev libgeotiff5 libgfortran-14-dev libgfortran5 libgif-dev libgif7 libgl-dev libgl1 libgl1-mesa-dri libgl2ps-dev libgl2ps1.4 libglapi-mesa libglew-dev libglew2.2 libglu1-mesa libglu1-mesa-dev libglvnd0 libglx-dev libglx-mesa0 libglx0 libgme0 libgmp-dev libgmpxx4ldbl libgnutls-dane0t64 libgnutls-openssl27t64 libgnutls28-dev libgpgme11t64 libgpgmepp6t64 libgraphite2-3 libgsm1 libgssrpc4t64 libgstreamer-plugins-base1.0-0 libgstreamer1.0-0 libgtk-3-0t64 libgtk-3-common libgts-0.7-5t64 libgudev-1.0-0 libgvc6 libgvpr2 libharfbuzz0b libhdf4-0-alt libhdf4-alt-dev libhdf5-103-1t64 libhdf5-cpp-103-1t64 libhdf5-dev libhdf5-fortran-102t64 libhdf5-hl-100t64 libhdf5-hl-cpp-100t64 libhdf5-hl-fortran-100t64 libhdf5-mpi-dev libhdf5-openmpi-103-1t64 libhdf5-openmpi-cpp-103-1t64 libhdf5-openmpi-dev libhdf5-openmpi-fortran-102t64 libhdf5-openmpi-hl-100t64 libhdf5-openmpi-hl-cpp-100t64 libhdf5-openmpi-hl-fortran-100t64 libheif-dev libheif-plugin-dav1d libheif-plugin-libde265 libheif1 libhsa-runtime64-1 libhsakmt1 libhunspell-1.7-0 libhwasan0 libhwloc-dev libhwloc-plugins libhwloc15 libhwy1t64 libhyphen0 libibmad5 libibumad3 libibverbs-dev libibverbs1 libice-dev libice6 libicu-dev libidn2-dev libimagequant0 libimath-3-1-29t64 libinput-bin libinput10 libisl23 libitm1 libjbig-dev libjbig0 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev libjs-jquery libjs-jquery-ui libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-c-dev libjson-c5 libjson-perl libjsoncpp-dev libjsoncpp26 libjxl0.9 libkadm5clnt-mit12 libkadm5srv-mit12 libkdb5-10t64 libkim-api-dev libkim-api2 libkml-dev libkmlbase1t64 libkmlconvenience1t64 libkmldom1t64 libkmlengine1t64 libkmlregionator1t64 libkmlxsd1t64 libkpathsea6 libkrb5-dev liblab-gamut1 liblapack-dev liblapack3 liblcms2-2 libldap-dev liblerc-dev liblerc4 libllvm17t64 libllvm19 liblsan0 libltdl-dev libltdl7 liblz4-dev liblzma-dev libmariadb-dev libmariadb-dev-compat libmariadb3 libmbedcrypto7t64 libmd4c0 libminizip-dev libminizip1t64 libmp3lame0 libmpc3 libmpfi0 libmpfr6 libmpg123-0t64 libmtdev1t64 libmunge2 libncursesw6 libnetcdf-dev libnetcdf19t64 libnghttp2-dev libnl-3-200 libnl-3-dev libnl-route-3-200 libnl-route-3-dev libnorm1t64 libnsl2 libnspr4 libnss3 libnuma-dev libnuma1 libodbc2 libodbccr2 libodbcinst2 libogdi-dev libogdi4.1 libogg-dev libogg0 libopenexr-3-1-30 libopengl-dev libopengl0 libopenjp2-7 libopenjp2-7-dev libopenmpi-dev libopenmpi3t64 libopenmpt0t64 libopus0 liborc-0.4-0t64 libp11-kit-dev libpam-systemd libpango-1.0-0 libpangocairo-1.0-0 libpangoft2-1.0-0 libpaper-utils libpaper1 libpathplan4 libpciaccess0 libpcre2-16-0 libpcre2-32-0 libpcre2-dev libpcre2-posix3 libpcsclite1 libpdfbox-java libpgm-5.3-0t64 libpixman-1-0 libpkgconf3 libpmix-dev libpmix2t64 libpnetcdf-dev libpnetcdf0d libpng-dev libpng16-16t64 libpoppler-dev libpoppler-private-dev libpoppler140 libpotrace0 libpq-dev libpq5 libproc2-0 libproj-dev libproj25 libpsl-dev libptexenc1 libpython3-all-dev libpython3-dev libpython3-stdlib libpython3.12-dev libpython3.12-minimal libpython3.12-stdlib libpython3.12t64 libpython3.13 libpython3.13-dev libpython3.13-minimal libpython3.13-stdlib libqhull-dev libqhull-r8.0 libqhull8.0 libqhullcpp8.0 libqt5concurrent5t64 libqt5core5t64 libqt5dbus5t64 libqt5designer5 libqt5designercomponents5 libqt5gui5t64 libqt5help5 libqt5network5t64 libqt5opengl5-dev libqt5opengl5t64 libqt5positioning5 libqt5printsupport5t64 libqt5qml5 libqt5qmlmodels5 libqt5qmlworkerscript5 libqt5quick5 libqt5quickparticles5 libqt5quickshapes5 libqt5quicktest5 libqt5quickwidgets5 libqt5sensors5 libqt5sql5-sqlite libqt5sql5t64 libqt5test5t64 libqt5webchannel5 libqt5webkit5 libqt5webkit5-dev libqt5widgets5t64 libqt5xml5t64 librabbitmq4 libraqm0 librav1e0.7 librdmacm1t64 librhash1 librist4 librsvg2-2 librtmp-dev librttopo-dev librttopo1 libsensors-config libsensors5 libsharpyuv-dev libsharpyuv0 libshine3 libsm-dev libsm6 libsnappy1v5 libsodium23 libsoxr0 libspatialite-dev libspatialite8t64 libspeex1 libsqlite3-dev libsrt1.5-gnutls libssh-4 libssh2-1-dev libssl-dev libstdc++-14-dev libsuperlu-dev libsuperlu7 libsvtav1enc2 libswresample-dev libswresample5 libswscale-dev libswscale8 libsymspg-dev libsymspg2 libsynctex2 libsystemd-shared libsz2 libtasn1-6-dev libtbb-dev libtbb12 libtbbbind-2-5 libtbbmalloc2 libtcl8.6 libteckit0 libtexlua53-5 libtext-iconv-perl libthai-data libthai0 libtheora-dev libtheora0 libtiff-dev libtiff6 libtiffxx6 libtirpc-common libtirpc-dev libtirpc3t64 libtk8.6 libtool libtsan2 libtwolame0 libubsan1 libucx0 libudfread0 libunbound8 libunwind8 liburiparser-dev liburiparser1 libutfcpp-dev libuv1t64 libva-drm2 libva-x11-2 libva2 libvdpau1 libvorbis0a libvorbisenc2 libvorbisfile3 libvoro++1 libvpx9 libvtk9-dev libvtk9-java libvtk9-qt-dev libvtk9.3 libvtk9.3-qt libvulkan-dev libvulkan1 libwacom-common libwacom9 libwayland-client0 libwayland-cursor0 libwayland-egl1 libwayland-server0 libwebp-dev libwebp7 libwebpdecoder3 libwebpdemux2 libwebpmux3 libwoff1 libx11-6 libx11-data libx11-dev libx11-xcb1 libx264-164 libx265-209 libxapian30 libxau-dev libxau6 libxaw7 libxcb-dri2-0 libxcb-dri3-0 libxcb-glx0 libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-present0 libxcb-randr0 libxcb-render-util0 libxcb-render0 libxcb-shape0 libxcb-shm0 libxcb-sync1 libxcb-util1 libxcb-xfixes0 libxcb-xinerama0 libxcb-xinput0 libxcb-xkb1 libxcb1 libxcb1-dev libxcomposite1 libxcursor1 libxdamage1 libxdmcp-dev libxdmcp6 libxerces-c-dev libxerces-c3.2t64 libxext-dev libxext6 libxfixes3 libxft-dev libxft2 libxi6 libxinerama1 libxkbcommon-x11-0 libxkbcommon0 libxml2-dev libxmu6 libxnvctrl0 libxpm4 libxrandr2 libxrender-dev libxrender1 libxshmfence1 libxslt1.1 libxss-dev libxss1 libxt-dev libxt6t64 libxtst6 libxvidcore4 libxxf86vm1 libyuv0 libz3-4 libzmq5 libzstd-dev libzvbi-common libzvbi0t64 libzzip-0-13t64 linux-libc-dev m4 mariadb-common media-types mesa-libgallium mpi-default-bin mpi-default-dev mysql-common nettle-dev ocl-icd-libopencl1 ocl-icd-opencl-dev opencl-c-headers opencl-clhpp-headers openjdk-21-jdk openjdk-21-jdk-headless openjdk-21-jre openjdk-21-jre-headless openmpi-bin openmpi-common openssh-client pkg-config pkgconf pkgconf-bin po-debconf preview-latex-style procps proj-data pybuild-plugin-pyproject python-babel-localedata python3 python3-alabaster python3-all python3-all-dev python3-autocommand python3-babel python3-breathe python3-build python3-certifi python3-chardet python3-charset-normalizer python3-defusedxml python3-dev python3-docutils python3-enchant python3-idna python3-imagesize python3-importlib-metadata python3-inflect python3-installer python3-jaraco.context python3-jaraco.functools python3-jaraco.text python3-jinja2 python3-markupsafe python3-minimal python3-more-itertools python3-mpi4py python3-packaging python3-pip-whl python3-pkg-resources python3-pygments python3-pyproject-hooks python3-requests python3-roman python3-setuptools python3-setuptools-whl python3-snowballstemmer python3-sphinx python3-sphinx-tabs python3-sphinxcontrib.jquery python3-sphinxcontrib.spelling python3-toml python3-typeguard python3-typing-extensions python3-urllib3 python3-venv python3-vtk9 python3-wheel python3-zipp python3.12 python3.12-dev python3.12-minimal python3.12-venv python3.13 python3.13-dev python3.13-minimal qdoc-qt5 qhelpgenerator-qt5 qt5-assistant qt5-qmake qt5-qmake-bin qt5-qmltooling-plugins qtattributionsscanner-qt5 qtbase5-dev qtbase5-dev-tools qtchooser qtdeclarative5-dev qtdeclarative5-dev-tools qttools5-dev qttools5-dev-tools qttools5-private-dev rpcsvc-proto sbuild-build-depends-main-dummy sgml-base sphinx-common sphinx-rtd-theme-common systemd systemd-sysv tcl tcl-dev tcl8.6 tcl8.6-dev tex-common tex-gyre texlive-base texlive-binaries texlive-fonts-recommended texlive-latex-base texlive-latex-extra texlive-latex-recommended texlive-pictures tk tk-dev tk8.6 tk8.6-dev unixodbc-common unixodbc-dev uuid-dev voro++-dev vtk9 x11-common x11proto-dev xdg-utils xfonts-encodings xfonts-utils xkb-data xml-core xorg-sgml-doctools xtrans-dev zlib1g-dev 0 upgraded, 772 newly installed, 0 to remove and 0 not upgraded. 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http://deb.debian.org/debian sid/main arm64 libfontconfig1 arm64 2.15.0-1.1+b1 [387 kB] Get:35 http://deb.debian.org/debian sid/main arm64 fontconfig arm64 2.15.0-1.1+b1 [463 kB] Get:36 http://deb.debian.org/debian sid/main arm64 libglvnd0 arm64 1.7.0-1+b2 [41.6 kB] Get:37 http://deb.debian.org/debian sid/main arm64 libwayland-server0 arm64 1.23.0-1+b1 [33.4 kB] Get:38 http://deb.debian.org/debian sid/main arm64 libxau6 arm64 1:1.0.11-1 [20.6 kB] Get:39 http://deb.debian.org/debian sid/main arm64 libxdmcp6 arm64 1:1.1.2-3+b2 [24.4 kB] Get:40 http://deb.debian.org/debian sid/main arm64 libxcb1 arm64 1.17.0-2+b1 [143 kB] Get:41 http://deb.debian.org/debian sid/main arm64 libxcb-randr0 arm64 1.17.0-2+b1 [117 kB] Get:42 http://deb.debian.org/debian sid/main arm64 libdrm-amdgpu1 arm64 2.4.123-1 [21.6 kB] Get:43 http://deb.debian.org/debian sid/main arm64 libdrm-radeon1 arm64 2.4.123-1 [21.3 kB] Get:44 http://deb.debian.org/debian sid/main arm64 libglapi-mesa arm64 24.2.7-1 [48.0 kB] Get:45 http://deb.debian.org/debian sid/main arm64 libedit2 arm64 3.1-20240808-1 [89.2 kB] Get:46 http://deb.debian.org/debian sid/main arm64 libz3-4 arm64 4.13.3-1 [7507 kB] Get:47 http://deb.debian.org/debian sid/main arm64 libllvm19 arm64 1:19.1.3-2 [23.3 MB] Get:48 http://deb.debian.org/debian sid/main arm64 libsensors-config all 1:3.6.0-10 [14.6 kB] Get:49 http://deb.debian.org/debian sid/main arm64 libsensors5 arm64 1:3.6.0-10+b1 [34.3 kB] Get:50 http://deb.debian.org/debian sid/main arm64 libx11-data all 2:1.8.10-2 [337 kB] Get:51 http://deb.debian.org/debian sid/main arm64 libx11-6 arm64 2:1.8.10-2 [789 kB] Get:52 http://deb.debian.org/debian sid/main arm64 libx11-xcb1 arm64 2:1.8.10-2 [241 kB] Get:53 http://deb.debian.org/debian sid/main arm64 libxcb-dri2-0 arm64 1.17.0-2+b1 [107 kB] Get:54 http://deb.debian.org/debian sid/main arm64 libxcb-dri3-0 arm64 1.17.0-2+b1 [107 kB] Get:55 http://deb.debian.org/debian sid/main arm64 libxcb-present0 arm64 1.17.0-2+b1 [106 kB] Get:56 http://deb.debian.org/debian sid/main arm64 libxcb-sync1 arm64 1.17.0-2+b1 [109 kB] Get:57 http://deb.debian.org/debian sid/main arm64 libxcb-xfixes0 arm64 1.17.0-2+b1 [110 kB] Get:58 http://deb.debian.org/debian sid/main arm64 libxshmfence1 arm64 1.3-1+b2 [9076 B] Get:59 http://deb.debian.org/debian sid/main arm64 mesa-libgallium arm64 24.2.7-1 [7687 kB] Get:60 http://deb.debian.org/debian sid/main arm64 libgbm1 arm64 24.2.7-1 [42.0 kB] Get:61 http://deb.debian.org/debian sid/main arm64 libwayland-client0 arm64 1.23.0-1+b1 [26.0 kB] Get:62 http://deb.debian.org/debian sid/main arm64 libxcb-shm0 arm64 1.17.0-2+b1 [105 kB] Get:63 http://deb.debian.org/debian sid/main arm64 libegl-mesa0 arm64 24.2.7-1 [124 kB] Get:64 http://deb.debian.org/debian sid/main arm64 libegl1 arm64 1.7.0-1+b2 [34.0 kB] Get:65 http://deb.debian.org/debian sid/main arm64 libxcb-glx0 arm64 1.17.0-2+b1 [123 kB] Get:66 http://deb.debian.org/debian sid/main arm64 libxext6 arm64 2:1.3.4-1+b2 [49.3 kB] Get:67 http://deb.debian.org/debian sid/main arm64 libxfixes3 arm64 1:6.0.0-2+b2 [20.5 kB] Get:68 http://deb.debian.org/debian sid/main arm64 libxxf86vm1 arm64 1:1.1.4-1+b3 [19.2 kB] Get:69 http://deb.debian.org/debian sid/main arm64 libvulkan1 arm64 1.3.296.0-1 [123 kB] Get:70 http://deb.debian.org/debian sid/main arm64 libgl1-mesa-dri arm64 24.2.7-1 [43.6 kB] Get:71 http://deb.debian.org/debian sid/main arm64 libglx-mesa0 arm64 24.2.7-1 [153 kB] Get:72 http://deb.debian.org/debian sid/main arm64 libglx0 arm64 1.7.0-1+b2 [31.1 kB] Get:73 http://deb.debian.org/debian sid/main arm64 libgl1 arm64 1.7.0-1+b2 [90.9 kB] Get:74 http://deb.debian.org/debian sid/main arm64 libgraphite2-3 arm64 1.3.14-2+b1 [70.4 kB] Get:75 http://deb.debian.org/debian sid/main arm64 libharfbuzz0b arm64 10.0.1-1 [441 kB] Get:76 http://deb.debian.org/debian sid/main arm64 x11-common all 1:7.7+23.1 [216 kB] Get:77 http://deb.debian.org/debian sid/main arm64 libice6 arm64 2:1.1.1-1 [62.1 kB] Get:78 http://deb.debian.org/debian sid/main arm64 libevdev2 arm64 1.13.3+dfsg-1 [30.6 kB] Get:79 http://deb.debian.org/debian sid/main arm64 libmtdev1t64 arm64 1.1.6-1.2+b1 [22.5 kB] Get:80 http://deb.debian.org/debian sid/main arm64 libgudev-1.0-0 arm64 238-5+b1 [14.0 kB] Get:81 http://deb.debian.org/debian sid/main arm64 libwacom-common all 2.13.0-1 [98.0 kB] Get:82 http://deb.debian.org/debian sid/main arm64 libwacom9 arm64 2.13.0-1 [22.9 kB] Get:83 http://deb.debian.org/debian sid/main arm64 libinput-bin arm64 1.26.2-1 [25.4 kB] Get:84 http://deb.debian.org/debian sid/main arm64 libinput10 arm64 1.26.2-1 [118 kB] Get:85 http://deb.debian.org/debian sid/main arm64 libmd4c0 arm64 0.5.2-2+b1 [46.1 kB] Get:86 http://deb.debian.org/debian sid/main arm64 libqt5dbus5t64 arm64 5.15.15+dfsg-2 [206 kB] Get:87 http://deb.debian.org/debian sid/main arm64 libqt5network5t64 arm64 5.15.15+dfsg-2 [650 kB] Get:88 http://deb.debian.org/debian sid/main arm64 libsm6 arm64 2:1.2.4-1 [34.2 kB] Get:89 http://deb.debian.org/debian sid/main arm64 libxcb-icccm4 arm64 0.4.2-1 [27.2 kB] Get:90 http://deb.debian.org/debian sid/main arm64 libxcb-util1 arm64 0.4.0-1+b2 [22.6 kB] Get:91 http://deb.debian.org/debian sid/main arm64 libxcb-image0 arm64 0.4.0-2+b2 [21.9 kB] Get:92 http://deb.debian.org/debian sid/main arm64 libxcb-keysyms1 arm64 0.4.0-1+b3 [15.8 kB] Get:93 http://deb.debian.org/debian sid/main arm64 libxcb-render0 arm64 1.17.0-2+b1 [115 kB] Get:94 http://deb.debian.org/debian sid/main arm64 libxcb-render-util0 arm64 0.3.9-1+b2 [17.5 kB] Get:95 http://deb.debian.org/debian sid/main arm64 libxcb-shape0 arm64 1.17.0-2+b1 [106 kB] Get:96 http://deb.debian.org/debian sid/main arm64 libxcb-xinerama0 arm64 1.17.0-2+b1 [105 kB] Get:97 http://deb.debian.org/debian sid/main arm64 libxcb-xinput0 arm64 1.17.0-2+b1 [130 kB] Get:98 http://deb.debian.org/debian sid/main arm64 libxcb-xkb1 arm64 1.17.0-2+b1 [129 kB] Get:99 http://deb.debian.org/debian sid/main arm64 xkb-data all 2.42-1 [790 kB] Get:100 http://deb.debian.org/debian sid/main arm64 libxkbcommon0 arm64 1.7.0-1 [106 kB] Get:101 http://deb.debian.org/debian sid/main arm64 libxkbcommon-x11-0 arm64 1.7.0-1 [15.2 kB] Get:102 http://deb.debian.org/debian sid/main arm64 libxrender1 arm64 1:0.9.10-1.1+b2 [27.2 kB] Get:103 http://deb.debian.org/debian sid/main arm64 libqt5gui5t64 arm64 5.15.15+dfsg-2 [3196 kB] Get:104 http://deb.debian.org/debian sid/main arm64 libqt5positioning5 arm64 5.15.15+dfsg-2 [192 kB] Get:105 http://deb.debian.org/debian sid/main arm64 libavahi-common-data arm64 0.8-13+b3 [112 kB] Get:106 http://deb.debian.org/debian sid/main arm64 libavahi-common3 arm64 0.8-13+b3 [42.3 kB] Get:107 http://deb.debian.org/debian sid/main arm64 libavahi-client3 arm64 0.8-13+b3 [46.0 kB] Get:108 http://deb.debian.org/debian sid/main arm64 libcups2t64 arm64 2.4.10-2 [235 kB] Get:109 http://deb.debian.org/debian sid/main arm64 libqt5widgets5t64 arm64 5.15.15+dfsg-2 [2287 kB] Get:110 http://deb.debian.org/debian sid/main arm64 libqt5printsupport5t64 arm64 5.15.15+dfsg-2 [198 kB] Get:111 http://deb.debian.org/debian sid/main arm64 libqt5qml5 arm64 5.15.15+dfsg-3 [1289 kB] Get:112 http://deb.debian.org/debian sid/main arm64 libqt5qmlmodels5 arm64 5.15.15+dfsg-3 [185 kB] Get:113 http://deb.debian.org/debian sid/main arm64 libqt5quick5 arm64 5.15.15+dfsg-3 [1522 kB] Get:114 http://deb.debian.org/debian sid/main arm64 libqt5sensors5 arm64 5.15.15-2 [109 kB] Get:115 http://deb.debian.org/debian sid/main arm64 libqt5webchannel5 arm64 5.15.15-2 [56.3 kB] Get:116 http://deb.debian.org/debian sid/main arm64 libsharpyuv0 arm64 1.4.0-0.1+b1 [112 kB] Get:117 http://deb.debian.org/debian sid/main arm64 libwebp7 arm64 1.4.0-0.1+b1 [268 kB] Get:118 http://deb.debian.org/debian sid/main arm64 libwoff1 arm64 1.0.2-2+b2 [41.7 kB] Get:119 http://deb.debian.org/debian sid/main arm64 libxslt1.1 arm64 1.1.35-1.1+b1 [222 kB] Get:120 http://deb.debian.org/debian sid/main arm64 libqt5webkit5 arm64 5.212.0~alpha4-41 [10.5 MB] Get:121 http://deb.debian.org/debian sid/main arm64 xorg-sgml-doctools all 1:1.11-1.1 [22.1 kB] Get:122 http://deb.debian.org/debian sid/main arm64 x11proto-dev all 2024.1-1 [603 kB] Get:123 http://deb.debian.org/debian sid/main arm64 libxau-dev arm64 1:1.0.11-1 [23.9 kB] Get:124 http://deb.debian.org/debian sid/main arm64 libxdmcp-dev arm64 1:1.1.2-3+b2 [40.6 kB] Get:125 http://deb.debian.org/debian sid/main arm64 xtrans-dev all 1.4.0-1 [98.7 kB] Get:126 http://deb.debian.org/debian sid/main arm64 libxcb1-dev arm64 1.17.0-2+b1 [182 kB] Get:127 http://deb.debian.org/debian sid/main arm64 libx11-dev arm64 2:1.8.10-2 [877 kB] Get:128 http://deb.debian.org/debian sid/main arm64 libglx-dev arm64 1.7.0-1+b2 [15.8 kB] Get:129 http://deb.debian.org/debian sid/main arm64 libgl-dev arm64 1.7.0-1+b2 [101 kB] Get:130 http://deb.debian.org/debian sid/main arm64 libegl-dev arm64 1.7.0-1+b2 [19.5 kB] Get:131 http://deb.debian.org/debian sid/main arm64 libopengl0 arm64 1.7.0-1+b2 [32.1 kB] Get:132 http://deb.debian.org/debian sid/main arm64 libglu1-mesa arm64 9.0.2-1.1+b2 [162 kB] Get:133 http://deb.debian.org/debian sid/main arm64 libopengl-dev arm64 1.7.0-1+b2 [5376 B] Get:134 http://deb.debian.org/debian sid/main arm64 libglu1-mesa-dev arm64 9.0.2-1.1+b2 [203 kB] Get:135 http://deb.debian.org/debian sid/main arm64 libqt5concurrent5t64 arm64 5.15.15+dfsg-2 [44.7 kB] Get:136 http://deb.debian.org/debian sid/main arm64 libqt5sql5t64 arm64 5.15.15+dfsg-2 [120 kB] Get:137 http://deb.debian.org/debian sid/main arm64 libqt5test5t64 arm64 5.15.15+dfsg-2 [139 kB] Get:138 http://deb.debian.org/debian sid/main arm64 libqt5xml5t64 arm64 5.15.15+dfsg-2 [121 kB] Get:139 http://deb.debian.org/debian sid/main arm64 libpython3.12-minimal arm64 3.12.7-3 [808 kB] Get:140 http://deb.debian.org/debian sid/main arm64 python3.12-minimal arm64 3.12.7-3 [1940 kB] Get:141 http://deb.debian.org/debian sid/main arm64 python3-minimal arm64 3.12.7-1 [26.8 kB] Get:142 http://deb.debian.org/debian sid/main arm64 media-types all 10.1.0 [26.9 kB] Get:143 http://deb.debian.org/debian sid/main arm64 libncursesw6 arm64 6.5-2+b1 [125 kB] Get:144 http://deb.debian.org/debian sid/main arm64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get:145 http://deb.debian.org/debian sid/main arm64 libtirpc3t64 arm64 1.3.4+ds-1.3+b1 [78.7 kB] Get:146 http://deb.debian.org/debian sid/main arm64 libnsl2 arm64 1.3.0-3+b3 [37.9 kB] Get:147 http://deb.debian.org/debian sid/main arm64 libpython3.12-stdlib arm64 3.12.7-3 [1902 kB] Get:148 http://deb.debian.org/debian sid/main arm64 python3.12 arm64 3.12.7-3 [671 kB] Get:149 http://deb.debian.org/debian sid/main arm64 libpython3-stdlib arm64 3.12.7-1 [9708 B] Get:150 http://deb.debian.org/debian sid/main arm64 python3 arm64 3.12.7-1 [27.8 kB] Get:151 http://deb.debian.org/debian sid/main arm64 libvulkan-dev arm64 1.3.296.0-1 [1397 kB] Get:152 http://deb.debian.org/debian sid/main arm64 libxext-dev arm64 2:1.3.4-1+b2 [105 kB] Get:153 http://deb.debian.org/debian sid/main arm64 qt5-qmake-bin arm64 5.15.15+dfsg-2 [922 kB] Get:154 http://deb.debian.org/debian sid/main arm64 qtchooser arm64 66-2+b1 [24.5 kB] Get:155 http://deb.debian.org/debian sid/main arm64 qt5-qmake arm64 5.15.15+dfsg-2 [224 kB] Get:156 http://deb.debian.org/debian sid/main arm64 qtbase5-dev-tools arm64 5.15.15+dfsg-2 [718 kB] Get:157 http://deb.debian.org/debian sid/main arm64 qtbase5-dev arm64 5.15.15+dfsg-2 [1120 kB] Get:158 http://deb.debian.org/debian sid/main arm64 libqt5qmlworkerscript5 arm64 5.15.15+dfsg-3 [34.8 kB] Get:159 http://deb.debian.org/debian sid/main arm64 libqt5quickparticles5 arm64 5.15.15+dfsg-3 [200 kB] Get:160 http://deb.debian.org/debian sid/main arm64 libqt5quickshapes5 arm64 5.15.15+dfsg-3 [95.7 kB] Get:161 http://deb.debian.org/debian sid/main arm64 libqt5quicktest5 arm64 5.15.15+dfsg-3 [55.1 kB] Get:162 http://deb.debian.org/debian sid/main arm64 libqt5quickwidgets5 arm64 5.15.15+dfsg-3 [39.7 kB] Get:163 http://deb.debian.org/debian sid/main arm64 qt5-qmltooling-plugins arm64 5.15.15+dfsg-3 [172 kB] Get:164 http://deb.debian.org/debian sid/main arm64 qtdeclarative5-dev-tools arm64 5.15.15+dfsg-3 [597 kB] Get:165 http://deb.debian.org/debian sid/main arm64 qtdeclarative5-dev arm64 5.15.15+dfsg-3 [458 kB] Get:166 http://deb.debian.org/debian sid/main arm64 libqt5webkit5-dev arm64 5.212.0~alpha4-41 [55.4 kB] Get:167 http://deb.debian.org/debian sid/main arm64 libpython3.13-minimal arm64 3.13.0-2 [850 kB] Get:168 http://deb.debian.org/debian sid/main arm64 python3.13-minimal arm64 3.13.0-2 [1838 kB] Get:169 http://deb.debian.org/debian sid/main arm64 sgml-base all 1.31 [15.4 kB] Get:170 http://deb.debian.org/debian sid/main arm64 libproc2-0 arm64 2:4.0.4-6 [62.3 kB] Get:171 http://deb.debian.org/debian sid/main arm64 procps arm64 2:4.0.4-6 [872 kB] Get:172 http://deb.debian.org/debian sid/main arm64 libpam-systemd arm64 257~rc2-3 [270 kB] Get:173 http://deb.debian.org/debian sid/main arm64 libcbor0.10 arm64 0.10.2-2 [27.4 kB] Get:174 http://deb.debian.org/debian sid/main arm64 libfido2-1 arm64 1.15.0-1+b1 [74.3 kB] Get:175 http://deb.debian.org/debian sid/main arm64 openssh-client arm64 1:9.9p1-3 [928 kB] Get:176 http://deb.debian.org/debian sid/main arm64 libgdk-pixbuf2.0-common all 2.42.12+dfsg-1 [311 kB] Get:177 http://deb.debian.org/debian sid/main arm64 libdeflate0 arm64 1.22-1 [42.2 kB] Get:178 http://deb.debian.org/debian sid/main arm64 libjbig0 arm64 2.1-6.1+b2 [30.4 kB] Get:179 http://deb.debian.org/debian sid/main arm64 liblerc4 arm64 4.0.0+ds-5 [146 kB] Get:180 http://deb.debian.org/debian sid/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB] Get:181 http://deb.debian.org/debian sid/main arm64 libgdk-pixbuf-2.0-0 arm64 2.42.12+dfsg-1+b1 [131 kB] Get:182 http://deb.debian.org/debian sid/main arm64 gtk-update-icon-cache arm64 4.16.5+ds-2 [49.9 kB] Get:183 http://deb.debian.org/debian sid/main arm64 hicolor-icon-theme all 0.18-1 [12.0 kB] Get:184 http://deb.debian.org/debian sid/main arm64 adwaita-icon-theme all 47.0-2 [463 kB] Get:185 http://deb.debian.org/debian sid/main arm64 at-spi2-common all 2.54.0-1 [170 kB] Get:186 http://deb.debian.org/debian sid/main arm64 m4 arm64 1.4.19-4 [277 kB] Get:187 http://deb.debian.org/debian sid/main arm64 autoconf all 2.72-3 [493 kB] Get:188 http://deb.debian.org/debian sid/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get:189 http://deb.debian.org/debian sid/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get:190 http://deb.debian.org/debian sid/main arm64 autopoint all 0.22.5-2 [723 kB] Get:191 http://deb.debian.org/debian sid/main arm64 libc-dev-bin arm64 2.40-3 [50.9 kB] Get:192 http://deb.debian.org/debian sid/main arm64 linux-libc-dev all 6.11.7-1 [2454 kB] Get:193 http://deb.debian.org/debian sid/main arm64 libcrypt-dev arm64 1:4.4.36-5 [122 kB] Get:194 http://deb.debian.org/debian sid/main arm64 rpcsvc-proto arm64 1.4.3-1+b1 [60.5 kB] Get:195 http://deb.debian.org/debian sid/main arm64 libc6-dev arm64 2.40-3 [1591 kB] Get:196 http://deb.debian.org/debian sid/main arm64 libisl23 arm64 0.27-1 [601 kB] Get:197 http://deb.debian.org/debian sid/main arm64 libmpfr6 arm64 4.2.1-1+b2 [680 kB] Get:198 http://deb.debian.org/debian sid/main arm64 libmpc3 arm64 1.3.1-1+b3 [50.5 kB] Get:199 http://deb.debian.org/debian sid/main arm64 cpp-14-aarch64-linux-gnu arm64 14.2.0-8 [9166 kB] Get:200 http://deb.debian.org/debian sid/main arm64 cpp-14 arm64 14.2.0-8 [1284 B] Get:201 http://deb.debian.org/debian sid/main arm64 cpp-aarch64-linux-gnu arm64 4:14.2.0-1 [4832 B] Get:202 http://deb.debian.org/debian sid/main arm64 cpp arm64 4:14.2.0-1 [1568 B] Get:203 http://deb.debian.org/debian sid/main arm64 libcc1-0 arm64 14.2.0-8 [42.2 kB] Get:204 http://deb.debian.org/debian sid/main arm64 libitm1 arm64 14.2.0-8 [24.2 kB] Get:205 http://deb.debian.org/debian sid/main arm64 libasan8 arm64 14.2.0-8 [2579 kB] Get:206 http://deb.debian.org/debian sid/main arm64 liblsan0 arm64 14.2.0-8 [1161 kB] Get:207 http://deb.debian.org/debian sid/main arm64 libtsan2 arm64 14.2.0-8 [2386 kB] Get:208 http://deb.debian.org/debian sid/main arm64 libubsan1 arm64 14.2.0-8 [1039 kB] Get:209 http://deb.debian.org/debian sid/main arm64 libhwasan0 arm64 14.2.0-8 [1442 kB] Get:210 http://deb.debian.org/debian sid/main arm64 libgcc-14-dev arm64 14.2.0-8 [2365 kB] Get:211 http://deb.debian.org/debian sid/main arm64 gcc-14-aarch64-linux-gnu arm64 14.2.0-8 [17.7 MB] Get:212 http://deb.debian.org/debian sid/main arm64 gcc-14 arm64 14.2.0-8 [519 kB] Get:213 http://deb.debian.org/debian sid/main arm64 gcc-aarch64-linux-gnu arm64 4:14.2.0-1 [1440 B] Get:214 http://deb.debian.org/debian sid/main arm64 gcc arm64 4:14.2.0-1 [5136 B] Get:215 http://deb.debian.org/debian sid/main arm64 libstdc++-14-dev arm64 14.2.0-8 [2267 kB] Get:216 http://deb.debian.org/debian sid/main arm64 g++-14-aarch64-linux-gnu arm64 14.2.0-8 [10.1 MB] Get:217 http://deb.debian.org/debian sid/main arm64 g++-14 arm64 14.2.0-8 [20.2 kB] Get:218 http://deb.debian.org/debian sid/main arm64 g++-aarch64-linux-gnu arm64 4:14.2.0-1 [1200 B] Get:219 http://deb.debian.org/debian sid/main arm64 g++ arm64 4:14.2.0-1 [1332 B] Get:220 http://deb.debian.org/debian sid/main arm64 build-essential arm64 12.12 [4624 B] Get:221 http://deb.debian.org/debian sid/main arm64 ca-certificates-java all 20240118 [11.6 kB] Get:222 http://deb.debian.org/debian sid/main arm64 cfortran all 20210827-1 [67.7 kB] Get:223 http://deb.debian.org/debian sid/main arm64 cmake-data all 3.31.0-1 [2265 kB] Get:224 http://deb.debian.org/debian sid/main arm64 libarchive13t64 arm64 3.7.4-1.1 [323 kB] Get:225 http://deb.debian.org/debian sid/main arm64 libcurl4t64 arm64 8.11.0-1 [322 kB] Get:226 http://deb.debian.org/debian sid/main arm64 libjsoncpp26 arm64 1.9.6-2 [73.1 kB] Get:227 http://deb.debian.org/debian sid/main arm64 librhash1 arm64 1.4.5-1 [129 kB] Get:228 http://deb.debian.org/debian sid/main arm64 libuv1t64 arm64 1.48.0-7 [143 kB] Get:229 http://deb.debian.org/debian sid/main arm64 cmake arm64 3.31.0-1 [9874 kB] Get:230 http://deb.debian.org/debian sid/main arm64 comerr-dev arm64 2.1-1.47.1-1+b1 [55.1 kB] Get:231 http://deb.debian.org/debian sid/main arm64 dbus-user-session arm64 1.14.10-6 [79.0 kB] Get:232 http://deb.debian.org/debian sid/main arm64 libdconf1 arm64 0.40.0-4+b3 [40.4 kB] Get:233 http://deb.debian.org/debian sid/main arm64 dconf-service arm64 0.40.0-4+b3 [31.1 kB] Get:234 http://deb.debian.org/debian sid/main arm64 dconf-gsettings-backend arm64 0.40.0-4+b3 [27.4 kB] Get:235 http://deb.debian.org/debian sid/main arm64 libdebhelper-perl all 13.20 [89.7 kB] Get:236 http://deb.debian.org/debian sid/main arm64 libtool all 2.4.7-8 [517 kB] Get:237 http://deb.debian.org/debian sid/main arm64 dh-autoreconf all 20 [17.1 kB] Get:238 http://deb.debian.org/debian sid/main arm64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get:239 http://deb.debian.org/debian sid/main arm64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get:240 http://deb.debian.org/debian sid/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get:241 http://deb.debian.org/debian sid/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get:242 http://deb.debian.org/debian sid/main arm64 debhelper all 13.20 [915 kB] Get:243 http://deb.debian.org/debian sid/main arm64 java-common all 0.76 [6776 B] Get:244 http://deb.debian.org/debian sid/main arm64 liblcms2-2 arm64 2.16-2 [151 kB] Get:245 http://deb.debian.org/debian sid/main arm64 libnspr4 arm64 2:4.35-1.1+b1 [101 kB] Get:246 http://deb.debian.org/debian sid/main arm64 libnss3 arm64 2:3.105-2 [1292 kB] Get:247 http://deb.debian.org/debian sid/main arm64 libpcsclite1 arm64 2.3.0-3 [55.1 kB] Get:248 http://deb.debian.org/debian sid/main arm64 openjdk-21-jre-headless arm64 21.0.5+11-1 [40.6 MB] Get:249 http://deb.debian.org/debian sid/main arm64 default-jre-headless arm64 2:1.21-76 [3192 B] Get:250 http://deb.debian.org/debian sid/main arm64 libatk1.0-0t64 arm64 2.54.0-1 [49.7 kB] Get:251 http://deb.debian.org/debian sid/main arm64 libxi6 arm64 2:1.8.2-1 [77.8 kB] Get:252 http://deb.debian.org/debian sid/main arm64 libatspi2.0-0t64 arm64 2.54.0-1 [72.9 kB] Get:253 http://deb.debian.org/debian sid/main arm64 libatk-bridge2.0-0t64 arm64 2.54.0-1 [64.4 kB] Get:254 http://deb.debian.org/debian sid/main arm64 libpixman-1-0 arm64 0.44.0-3 [168 kB] Get:255 http://deb.debian.org/debian sid/main arm64 libcairo2 arm64 1.18.2-2 [483 kB] Get:256 http://deb.debian.org/debian sid/main arm64 libcairo-gobject2 arm64 1.18.2-2 [130 kB] Get:257 http://deb.debian.org/debian sid/main arm64 libcloudproviders0 arm64 0.3.6-1+b1 [27.7 kB] Get:258 http://deb.debian.org/debian sid/main arm64 libcolord2 arm64 1.4.7-1+b2 [130 kB] Get:259 http://deb.debian.org/debian sid/main arm64 libepoxy0 arm64 1.5.10-2 [200 kB] Get:260 http://deb.debian.org/debian sid/main arm64 libfribidi0 arm64 1.0.15-1 [71.8 kB] Get:261 http://deb.debian.org/debian sid/main arm64 libthai-data all 0.1.29-2 [168 kB] Get:262 http://deb.debian.org/debian sid/main arm64 libdatrie1 arm64 0.2.13-3+b1 [37.6 kB] Get:263 http://deb.debian.org/debian sid/main arm64 libthai0 arm64 0.1.29-2+b1 [48.4 kB] Get:264 http://deb.debian.org/debian sid/main arm64 libpango-1.0-0 arm64 1.54.0+ds-3 [210 kB] Get:265 http://deb.debian.org/debian sid/main arm64 libpangoft2-1.0-0 arm64 1.54.0+ds-3 [51.8 kB] Get:266 http://deb.debian.org/debian sid/main arm64 libpangocairo-1.0-0 arm64 1.54.0+ds-3 [33.5 kB] Get:267 http://deb.debian.org/debian sid/main arm64 libwayland-cursor0 arm64 1.23.0-1+b1 [11.5 kB] Get:268 http://deb.debian.org/debian sid/main arm64 libwayland-egl1 arm64 1.23.0-1+b1 [5768 B] Get:269 http://deb.debian.org/debian sid/main arm64 libxcomposite1 arm64 1:0.4.6-1 [16.4 kB] Get:270 http://deb.debian.org/debian sid/main arm64 libxcursor1 arm64 1:1.2.2-1+b1 [37.1 kB] Get:271 http://deb.debian.org/debian sid/main arm64 libxdamage1 arm64 1:1.1.6-1+b2 [15.6 kB] Get:272 http://deb.debian.org/debian sid/main arm64 libxinerama1 arm64 2:1.1.4-3+b2 [16.1 kB] Get:273 http://deb.debian.org/debian sid/main arm64 libxrandr2 arm64 2:1.5.4-1+b1 [36.0 kB] Get:274 http://deb.debian.org/debian sid/main arm64 libgtk-3-common all 3.24.43-4 [4657 kB] Get:275 http://deb.debian.org/debian sid/main arm64 libgtk-3-0t64 arm64 3.24.43-4 [2546 kB] Get:276 http://deb.debian.org/debian sid/main arm64 libasound2-data all 1.2.12-1 [21.0 kB] Get:277 http://deb.debian.org/debian sid/main arm64 libasound2t64 arm64 1.2.12-1+b1 [336 kB] Get:278 http://deb.debian.org/debian sid/main arm64 libgif7 arm64 5.2.2-1+b1 [44.2 kB] Get:279 http://deb.debian.org/debian sid/main arm64 libxtst6 arm64 2:1.2.3-1.1+b2 [26.0 kB] Get:280 http://deb.debian.org/debian sid/main arm64 openjdk-21-jre arm64 21.0.5+11-1 [193 kB] Get:281 http://deb.debian.org/debian sid/main arm64 default-jre arm64 2:1.21-76 [1068 B] Get:282 http://deb.debian.org/debian sid/main arm64 openjdk-21-jdk-headless arm64 21.0.5+11-1 [81.9 MB] Get:283 http://deb.debian.org/debian sid/main arm64 default-jdk-headless arm64 2:1.21-76 [1124 B] Get:284 http://deb.debian.org/debian sid/main arm64 openjdk-21-jdk arm64 21.0.5+11-1 [3422 kB] Get:285 http://deb.debian.org/debian sid/main arm64 default-jdk arm64 2:1.21-76 [1076 B] Get:286 http://deb.debian.org/debian sid/main arm64 mysql-common all 5.8+1.1.1 [6784 B] Get:287 http://deb.debian.org/debian sid/main arm64 mariadb-common all 1:11.4.3-1 [27.1 kB] Get:288 http://deb.debian.org/debian sid/main arm64 libmariadb3 arm64 1:11.4.3-1 [170 kB] Get:289 http://deb.debian.org/debian sid/main arm64 libssl-dev arm64 3.3.2-2 [3185 kB] Get:290 http://deb.debian.org/debian sid/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [917 kB] Get:291 http://deb.debian.org/debian sid/main arm64 libmariadb-dev arm64 1:11.4.3-1 [266 kB] Get:292 http://deb.debian.org/debian sid/main arm64 libmariadb-dev-compat arm64 1:11.4.3-1 [26.0 kB] Get:293 http://deb.debian.org/debian sid/main arm64 default-libmysqlclient-dev arm64 1.1.1 [3252 B] Get:294 http://deb.debian.org/debian sid/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get:295 http://deb.debian.org/debian sid/main arm64 python3-more-itertools all 10.5.0-1 [63.8 kB] Get:296 http://deb.debian.org/debian sid/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get:297 http://deb.debian.org/debian sid/main arm64 python3-zipp all 3.21.0-1 [10.6 kB] Get:298 http://deb.debian.org/debian sid/main arm64 python3-importlib-metadata all 8.5.0-1 [21.0 kB] Get:299 http://deb.debian.org/debian sid/main arm64 python3-typeguard all 4.4.1-1 [37.0 kB] Get:300 http://deb.debian.org/debian sid/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get:301 http://deb.debian.org/debian sid/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get:302 http://deb.debian.org/debian sid/main arm64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get:303 http://deb.debian.org/debian sid/main arm64 python3-pkg-resources all 75.2.0-1 [213 kB] Get:304 http://deb.debian.org/debian sid/main arm64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get:305 http://deb.debian.org/debian sid/main arm64 python3-setuptools all 75.2.0-1 [731 kB] Get:306 http://deb.debian.org/debian sid/main arm64 dh-python all 6.20241024 [109 kB] Get:307 http://deb.debian.org/debian sid/main arm64 libtext-iconv-perl arm64 1.7-8+b4 [14.2 kB] Get:308 http://deb.debian.org/debian sid/main arm64 emacsen-common all 3.0.5 [12.3 kB] Get:309 http://deb.debian.org/debian sid/main arm64 dictionaries-common all 1.30.1 [172 kB] Get:310 http://deb.debian.org/debian sid/main arm64 xml-core all 0.19 [20.1 kB] Get:311 http://deb.debian.org/debian sid/main arm64 docutils-common all 0.21.2+dfsg-2 [128 kB] Get:312 http://deb.debian.org/debian sid/main arm64 libclang-cpp19 arm64 1:19.1.3-2 [12.0 MB] Get:313 http://deb.debian.org/debian sid/main arm64 libclang1-19 arm64 1:19.1.3-2 [6844 kB] Get:314 http://deb.debian.org/debian sid/main arm64 libfmt10 arm64 10.1.1+ds1-4 [121 kB] Get:315 http://deb.debian.org/debian sid/main arm64 libxapian30 arm64 1.4.25-1+b1 [1057 kB] Get:316 http://deb.debian.org/debian sid/main arm64 doxygen arm64 1.9.8+ds-2+b3 [4515 kB] Get:317 http://deb.debian.org/debian sid/main arm64 libfakeroot arm64 1.36-1 [29.1 kB] Get:318 http://deb.debian.org/debian sid/main arm64 fakeroot arm64 1.36-1 [74.4 kB] Get:319 http://deb.debian.org/debian sid/main arm64 fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [517 kB] Get:320 http://deb.debian.org/debian sid/main arm64 fonts-lmodern all 2.005-1 [4540 kB] Get:321 http://deb.debian.org/debian sid/main arm64 fonts-mathjax all 2.7.9+dfsg-1 [2210 kB] Get:322 http://deb.debian.org/debian sid/main arm64 gdal-data all 3.9.3+dfsg-1 [564 kB] Get:323 http://deb.debian.org/debian sid/main arm64 gdal-plugins arm64 3.9.3+dfsg-1+b1 [343 kB] Get:324 http://deb.debian.org/debian sid/main arm64 libgfortran5 arm64 14.2.0-8 [361 kB] Get:325 http://deb.debian.org/debian sid/main arm64 libgfortran-14-dev arm64 14.2.0-8 [418 kB] Get:326 http://deb.debian.org/debian sid/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-8 [9791 kB] Get:327 http://deb.debian.org/debian sid/main arm64 gfortran-14 arm64 14.2.0-8 [12.2 kB] Get:328 http://deb.debian.org/debian sid/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.2.0-1 [1284 B] Get:329 http://deb.debian.org/debian sid/main arm64 gfortran arm64 4:14.2.0-1 [1424 B] Get:330 http://deb.debian.org/debian sid/main arm64 liberror-perl all 0.17029-2 [29.0 kB] Get:331 http://deb.debian.org/debian sid/main arm64 git-man all 1:2.45.2-1.2 [2159 kB] Get:332 http://deb.debian.org/debian sid/main arm64 git arm64 1:2.45.2-1.2 [8555 kB] Get:333 http://deb.debian.org/debian sid/main arm64 libann0 arm64 1.1.2+doc-9+b2 [24.1 kB] Get:334 http://deb.debian.org/debian sid/main arm64 libcdt5 arm64 2.42.4-2+b1 [39.4 kB] Get:335 http://deb.debian.org/debian sid/main arm64 libcgraph6 arm64 2.42.4-2+b1 [61.3 kB] Get:336 http://deb.debian.org/debian sid/main arm64 libaom3 arm64 3.11.0~rc1-1 [1690 kB] Get:337 http://deb.debian.org/debian sid/main arm64 libdav1d7 arm64 1.5.0-1+b1 [248 kB] Get:338 http://deb.debian.org/debian sid/main arm64 libabsl20230802 arm64 20230802.1-4 [432 kB] Get:339 http://deb.debian.org/debian sid/main arm64 libgav1-1 arm64 0.19.0-2+b2 [493 kB] Get:340 http://deb.debian.org/debian sid/main arm64 librav1e0.7 arm64 0.7.1-7+b2 [653 kB] Get:341 http://deb.debian.org/debian sid/main arm64 libsvtav1enc2 arm64 2.2.1+dfsg-2 [1463 kB] Get:342 http://deb.debian.org/debian sid/main arm64 libyuv0 arm64 0.0.1888.20241107-1 [135 kB] Get:343 http://deb.debian.org/debian sid/main arm64 libavif16 arm64 1.1.1-1 [109 kB] Get:344 http://deb.debian.org/debian sid/main arm64 libheif-plugin-dav1d arm64 1.19.3-1 [11.2 kB] Get:345 http://deb.debian.org/debian sid/main arm64 libde265-0 arm64 1.0.15-1+b2 [153 kB] Get:346 http://deb.debian.org/debian sid/main arm64 libheif-plugin-libde265 arm64 1.19.3-1 [14.9 kB] Get:347 http://deb.debian.org/debian sid/main arm64 libheif1 arm64 1.19.3-1 [419 kB] Get:348 http://deb.debian.org/debian sid/main arm64 libimagequant0 arm64 2.18.0-1+b2 [34.6 kB] Get:349 http://deb.debian.org/debian sid/main arm64 libraqm0 arm64 0.10.1-1+b2 [13.8 kB] Get:350 http://deb.debian.org/debian sid/main arm64 libxpm4 arm64 1:3.5.17-1+b2 [53.2 kB] Get:351 http://deb.debian.org/debian sid/main arm64 libgd3 arm64 2.3.3-12+b1 [115 kB] Get:352 http://deb.debian.org/debian sid/main arm64 libgts-0.7-5t64 arm64 0.7.6+darcs121130-5.2+b1 [145 kB] Get:353 http://deb.debian.org/debian sid/main arm64 libltdl7 arm64 2.4.7-8 [392 kB] Get:354 http://deb.debian.org/debian sid/main arm64 libpathplan4 arm64 2.42.4-2+b1 [41.4 kB] Get:355 http://deb.debian.org/debian sid/main arm64 libgvc6 arm64 2.42.4-2+b1 [628 kB] Get:356 http://deb.debian.org/debian sid/main arm64 libgvpr2 arm64 2.42.4-2+b1 [182 kB] Get:357 http://deb.debian.org/debian sid/main arm64 liblab-gamut1 arm64 2.42.4-2+b1 [198 kB] Get:358 http://deb.debian.org/debian sid/main arm64 libxt6t64 arm64 1:1.2.1-1.2+b1 [173 kB] Get:359 http://deb.debian.org/debian sid/main arm64 libxmu6 arm64 2:1.1.3-3+b3 [55.6 kB] Get:360 http://deb.debian.org/debian sid/main arm64 libxaw7 arm64 2:1.0.16-1 [195 kB] Get:361 http://deb.debian.org/debian sid/main arm64 graphviz arm64 2.42.4-2+b1 [574 kB] Get:362 http://deb.debian.org/debian sid/main arm64 hdf5-helpers arm64 1.10.10+repack-4 [23.5 kB] Get:363 http://deb.debian.org/debian sid/main arm64 htmldoc-common all 1.9.18-3 [1993 kB] Get:364 http://deb.debian.org/debian sid/main arm64 libxft2 arm64 2.3.6-1+b2 [51.6 kB] Get:365 http://deb.debian.org/debian sid/main arm64 libfltk1.3t64 arm64 1.3.8-6.1+b1 [520 kB] Get:366 http://deb.debian.org/debian sid/main arm64 libfltk-images1.3t64 arm64 1.3.8-6.1+b1 [48.2 kB] Get:367 http://deb.debian.org/debian sid/main arm64 htmldoc arm64 1.9.18-3 [151 kB] Get:368 http://deb.debian.org/debian sid/main arm64 hunspell-en-us all 1:2020.12.07-3 [559 kB] Get:369 http://deb.debian.org/debian sid/main arm64 libnl-3-200 arm64 3.7.0-0.3+b1 [57.0 kB] Get:370 http://deb.debian.org/debian sid/main arm64 libnl-route-3-200 arm64 3.7.0-0.3+b1 [167 kB] Get:371 http://deb.debian.org/debian sid/main arm64 libibverbs1 arm64 52.0-2+b1 [58.8 kB] Get:372 http://deb.debian.org/debian sid/main arm64 ibverbs-providers arm64 52.0-2+b1 [321 kB] Get:373 http://deb.debian.org/debian sid/main arm64 icu-devtools arm64 72.1-5+b1 [195 kB] Get:374 http://deb.debian.org/debian sid/main arm64 libgssrpc4t64 arm64 1.21.3-3 [56.7 kB] Get:375 http://deb.debian.org/debian sid/main arm64 libkadm5clnt-mit12 arm64 1.21.3-3 [40.3 kB] Get:376 http://deb.debian.org/debian sid/main arm64 libkdb5-10t64 arm64 1.21.3-3 [40.8 kB] Get:377 http://deb.debian.org/debian sid/main arm64 libkadm5srv-mit12 arm64 1.21.3-3 [52.2 kB] Get:378 http://deb.debian.org/debian sid/main arm64 krb5-multidev arm64 1.21.3-3 [126 kB] Get:379 http://deb.debian.org/debian sid/main arm64 tex-common all 6.18 [32.5 kB] Get:380 http://deb.debian.org/debian sid/main arm64 libpaper1 arm64 1.1.29+b2 [13.0 kB] Get:381 http://deb.debian.org/debian sid/main arm64 libpaper-utils arm64 1.1.29+b2 [9128 B] Get:382 http://deb.debian.org/debian sid/main arm64 libkpathsea6 arm64 2024.20240313.70630+ds-5 [153 kB] Get:383 http://deb.debian.org/debian sid/main arm64 libptexenc1 arm64 2024.20240313.70630+ds-5 [47.9 kB] Get:384 http://deb.debian.org/debian sid/main arm64 libsynctex2 arm64 2024.20240313.70630+ds-5 [60.3 kB] Get:385 http://deb.debian.org/debian sid/main arm64 libtexlua53-5 arm64 2024.20240313.70630+ds-5 [106 kB] Get:386 http://deb.debian.org/debian sid/main arm64 libmpfi0 arm64 1.5.4+ds-4 [34.5 kB] Get:387 http://deb.debian.org/debian sid/main arm64 libpotrace0 arm64 1.16-2+b2 [23.4 kB] Get:388 http://deb.debian.org/debian sid/main arm64 libteckit0 arm64 2.5.12+ds1-1+b1 [303 kB] Get:389 http://deb.debian.org/debian sid/main arm64 libzzip-0-13t64 arm64 0.13.72+dfsg.1-1.3 [56.6 kB] Get:390 http://deb.debian.org/debian sid/main arm64 texlive-binaries arm64 2024.20240313.70630+ds-5 [7358 kB] Get:391 http://deb.debian.org/debian sid/main arm64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get:392 http://deb.debian.org/debian sid/main arm64 texlive-base all 2024.20241102-1 [22.7 MB] Get:393 http://deb.debian.org/debian sid/main arm64 texlive-latex-base all 2024.20241102-1 [1278 kB] Get:394 http://deb.debian.org/debian sid/main arm64 latexmk all 1:4.85-1 [501 kB] Get:395 http://deb.debian.org/debian sid/main arm64 libaec0 arm64 1.1.3-1+b1 [22.5 kB] Get:396 http://deb.debian.org/debian sid/main arm64 libsz2 arm64 1.1.3-1+b1 [8044 B] Get:397 http://deb.debian.org/debian sid/main arm64 libaec-dev arm64 1.1.3-1+b1 [20.2 kB] Get:398 http://deb.debian.org/debian sid/main arm64 libllvm17t64 arm64 1:17.0.6-18 [21.3 MB] Get:399 http://deb.debian.org/debian sid/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b2 [12.1 MB] Get:400 http://deb.debian.org/debian sid/main arm64 libnuma1 arm64 2.0.18-1+b1 [21.8 kB] Get:401 http://deb.debian.org/debian sid/main arm64 libhsakmt1 arm64 6.1.2+ds-1 [56.9 kB] Get:402 http://deb.debian.org/debian sid/main arm64 libhsa-runtime64-1 arm64 6.1.2-2 [300 kB] Get:403 http://deb.debian.org/debian sid/main arm64 libamdhip64-5 arm64 5.7.1-5 [8823 kB] Get:404 http://deb.debian.org/debian sid/main arm64 libapache-pom-java all 33-2 [5852 B] Get:405 http://deb.debian.org/debian sid/main arm64 libblas3 arm64 3.12.0-3+b1 [98.9 kB] Get:406 http://deb.debian.org/debian sid/main arm64 liblapack3 arm64 3.12.0-3+b1 [1812 kB] Get:407 http://deb.debian.org/debian sid/main arm64 libarpack2t64 arm64 3.9.1-1.1+b2 [81.3 kB] Get:408 http://deb.debian.org/debian sid/main arm64 libarmadillo14 arm64 1:14.0.1+dfsg-2+b1 [101 kB] Get:409 http://deb.debian.org/debian sid/main arm64 libblas-dev arm64 3.12.0-3+b1 [106 kB] Get:410 http://deb.debian.org/debian sid/main arm64 liblapack-dev arm64 3.12.0-3+b1 [3709 kB] Get:411 http://deb.debian.org/debian sid/main arm64 libarpack2-dev arm64 3.9.1-1.1+b2 [98.3 kB] Get:412 http://deb.debian.org/debian sid/main arm64 libhdf5-103-1t64 arm64 1.10.10+repack-4 [1050 kB] Get:413 http://deb.debian.org/debian sid/main arm64 libhdf5-fortran-102t64 arm64 1.10.10+repack-4 [88.1 kB] Get:414 http://deb.debian.org/debian sid/main arm64 libhdf5-hl-100t64 arm64 1.10.10+repack-4 [60.9 kB] Get:415 http://deb.debian.org/debian sid/main arm64 libhdf5-hl-fortran-100t64 arm64 1.10.10+repack-4 [39.0 kB] Get:416 http://deb.debian.org/debian sid/main arm64 libhdf5-cpp-103-1t64 arm64 1.10.10+repack-4 [118 kB] Get:417 http://deb.debian.org/debian sid/main arm64 libhdf5-hl-cpp-100t64 arm64 1.10.10+repack-4 [21.4 kB] Get:418 http://deb.debian.org/debian sid/main arm64 libjpeg62-turbo-dev arm64 1:2.1.5-3+b1 [293 kB] Get:419 http://deb.debian.org/debian sid/main arm64 libjpeg-dev arm64 1:2.1.5-3+b1 [72.2 kB] Get:420 http://deb.debian.org/debian sid/main arm64 libbrotli-dev arm64 1.1.0-2+b6 [308 kB] Get:421 http://deb.debian.org/debian sid/main arm64 libidn2-dev arm64 2.3.7-2+b1 [122 kB] Get:422 http://deb.debian.org/debian sid/main arm64 libkrb5-dev arm64 1.21.3-3 [15.8 kB] Get:423 http://deb.debian.org/debian sid/main arm64 libldap-dev arm64 2.5.18+dfsg-3+b1 [300 kB] Get:424 http://deb.debian.org/debian sid/main arm64 libpkgconf3 arm64 1.8.1-4 [35.3 kB] Get:425 http://deb.debian.org/debian sid/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB] Get:426 http://deb.debian.org/debian sid/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB] Get:427 http://deb.debian.org/debian sid/main arm64 libnghttp2-dev arm64 1.64.0-1 [112 kB] Get:428 http://deb.debian.org/debian sid/main arm64 libpsl-dev arm64 0.21.2-1.1+b1 [77.9 kB] Get:429 http://deb.debian.org/debian sid/main arm64 libgmpxx4ldbl arm64 2:6.3.0+dfsg-2+b2 [329 kB] Get:430 http://deb.debian.org/debian sid/main arm64 libgmp-dev arm64 2:6.3.0+dfsg-2+b2 [621 kB] Get:431 http://deb.debian.org/debian sid/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10+b1 [170 kB] Get:432 http://deb.debian.org/debian sid/main arm64 libunbound8 arm64 1.22.0-1 [553 kB] Get:433 http://deb.debian.org/debian sid/main arm64 libgnutls-dane0t64 arm64 3.8.8-2 [446 kB] Get:434 http://deb.debian.org/debian sid/main arm64 libgnutls-openssl27t64 arm64 3.8.8-2 [446 kB] Get:435 http://deb.debian.org/debian sid/main arm64 libp11-kit-dev arm64 0.25.5-2+b1 [208 kB] Get:436 http://deb.debian.org/debian sid/main arm64 libtasn1-6-dev arm64 4.19.0-3+b3 [96.5 kB] Get:437 http://deb.debian.org/debian sid/main arm64 nettle-dev arm64 3.10-1+b1 [1324 kB] Get:438 http://deb.debian.org/debian sid/main arm64 libgnutls28-dev arm64 3.8.8-2 [1404 kB] Get:439 http://deb.debian.org/debian sid/main arm64 librtmp-dev arm64 2.4+20151223.gitfa8646d.1-2+b5 [67.5 kB] Get:440 http://deb.debian.org/debian sid/main arm64 libssh2-1-dev arm64 1.11.1-1 [388 kB] Get:441 http://deb.debian.org/debian sid/main arm64 libzstd-dev arm64 1.5.6+dfsg-1+b1 [329 kB] Get:442 http://deb.debian.org/debian sid/main arm64 libcurl4-openssl-dev arm64 8.11.0-1 [447 kB] Get:443 http://deb.debian.org/debian sid/main arm64 libhdf5-dev arm64 1.10.10+repack-4 [2697 kB] Get:444 http://deb.debian.org/debian sid/main arm64 libsuperlu7 arm64 7.0.0+dfsg1-2 [144 kB] Get:445 http://deb.debian.org/debian sid/main arm64 libsuperlu-dev arm64 7.0.0+dfsg1-2 [21.9 kB] Get:446 http://deb.debian.org/debian sid/main arm64 libarmadillo-dev arm64 1:14.0.1+dfsg-2+b1 [413 kB] Get:447 http://deb.debian.org/debian sid/main arm64 libaspell15 arm64 0.60.8.1-1+b2 [308 kB] Get:448 http://deb.debian.org/debian sid/main arm64 libva2 arm64 2.22.0-1+b1 [74.0 kB] Get:449 http://deb.debian.org/debian sid/main arm64 libva-drm2 arm64 2.22.0-1+b1 [18.7 kB] Get:450 http://deb.debian.org/debian sid/main arm64 libva-x11-2 arm64 2.22.0-1+b1 [23.3 kB] Get:451 http://deb.debian.org/debian sid/main arm64 libvdpau1 arm64 1.5-3+b1 [24.4 kB] Get:452 http://deb.debian.org/debian sid/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b2 [39.3 kB] Get:453 http://deb.debian.org/debian sid/main arm64 libavutil59 arm64 7:7.1-3 [376 kB] Get:454 http://deb.debian.org/debian sid/main arm64 libcodec2-1.2 arm64 1.2.0-2+b2 [8167 kB] Get:455 http://deb.debian.org/debian sid/main arm64 libgsm1 arm64 1.0.22-1+b2 [27.3 kB] Get:456 http://deb.debian.org/debian sid/main arm64 libhwy1t64 arm64 1.2.0-2+b1 [500 kB] Get:457 http://deb.debian.org/debian sid/main arm64 libimath-3-1-29t64 arm64 3.1.12-1+b1 [38.3 kB] Get:458 http://deb.debian.org/debian sid/main arm64 libopenexr-3-1-30 arm64 3.1.5-5.1+b3 [856 kB] Get:459 http://deb.debian.org/debian sid/main arm64 libjxl0.9 arm64 0.9.2-10+b1 [811 kB] Get:460 http://deb.debian.org/debian sid/main arm64 libmp3lame0 arm64 3.100-6+b3 [355 kB] Get:461 http://deb.debian.org/debian sid/main arm64 libopenjp2-7 arm64 2.5.0-2+b4 [185 kB] Get:462 http://deb.debian.org/debian sid/main arm64 libopus0 arm64 1.5.2-2 [2813 kB] Get:463 http://deb.debian.org/debian sid/main arm64 librsvg2-2 arm64 2.59.1+dfsg-1 [1675 kB] Get:464 http://deb.debian.org/debian sid/main arm64 libshine3 arm64 3.1.1-2+b2 [24.6 kB] Get:465 http://deb.debian.org/debian sid/main arm64 libsnappy1v5 arm64 1.2.1-1+b1 [28.7 kB] Get:466 http://deb.debian.org/debian sid/main arm64 libspeex1 arm64 1.2.1-3 [50.4 kB] Get:467 http://deb.debian.org/debian sid/main arm64 libsoxr0 arm64 0.1.3-4+b2 [54.9 kB] Get:468 http://deb.debian.org/debian sid/main arm64 libswresample5 arm64 7:7.1-3 [85.7 kB] Get:469 http://deb.debian.org/debian sid/main arm64 libogg0 arm64 1.3.5-3+b2 [23.6 kB] Get:470 http://deb.debian.org/debian sid/main arm64 libtheora0 arm64 1.1.1+dfsg.1-17 [148 kB] Get:471 http://deb.debian.org/debian sid/main arm64 libtwolame0 arm64 0.4.0-2+b2 [49.3 kB] Get:472 http://deb.debian.org/debian sid/main arm64 libvorbis0a arm64 1.3.7-2+b1 [84.5 kB] Get:473 http://deb.debian.org/debian sid/main arm64 libvorbisenc2 arm64 1.3.7-2+b1 [76.3 kB] Get:474 http://deb.debian.org/debian sid/main arm64 libvpx9 arm64 1.14.1-1+b1 [1132 kB] Get:475 http://deb.debian.org/debian sid/main arm64 libwebpmux3 arm64 1.4.0-0.1+b1 [122 kB] Get:476 http://deb.debian.org/debian sid/main arm64 libx264-164 arm64 2:0.164.3108+git31e19f9-2 [453 kB] Get:477 http://deb.debian.org/debian sid/main arm64 libx265-209 arm64 3.6-3+b1 [724 kB] Get:478 http://deb.debian.org/debian sid/main arm64 libxvidcore4 arm64 2:1.3.7-1+b2 [202 kB] Get:479 http://deb.debian.org/debian sid/main arm64 libzvbi-common all 0.2.42-2 [70.4 kB] Get:480 http://deb.debian.org/debian sid/main arm64 libzvbi0t64 arm64 0.2.42-2 [259 kB] Get:481 http://deb.debian.org/debian sid/main arm64 libavcodec61 arm64 7:7.1-3 [5369 kB] Get:482 http://deb.debian.org/debian sid/main arm64 libavutil-dev arm64 7:7.1-3 [533 kB] Get:483 http://deb.debian.org/debian sid/main arm64 libswresample-dev arm64 7:7.1-3 [96.7 kB] Get:484 http://deb.debian.org/debian sid/main arm64 libavcodec-dev arm64 7:7.1-3 [6047 kB] Get:485 http://deb.debian.org/debian sid/main arm64 libudfread0 arm64 1.1.2-1+b2 [17.3 kB] Get:486 http://deb.debian.org/debian sid/main arm64 libbluray2 arm64 1:1.3.4-1+b2 [126 kB] Get:487 http://deb.debian.org/debian sid/main arm64 libchromaprint1 arm64 1.5.1-6 [38.7 kB] Get:488 http://deb.debian.org/debian sid/main arm64 libdvdread8t64 arm64 6.1.3-2 [81.2 kB] Get:489 http://deb.debian.org/debian sid/main arm64 libdvdnav4 arm64 6.1.1-3+b1 [41.0 kB] Get:490 http://deb.debian.org/debian sid/main arm64 libgme0 arm64 0.6.3-7+b2 [120 kB] Get:491 http://deb.debian.org/debian sid/main arm64 libmpg123-0t64 arm64 1.32.9-1 [143 kB] Get:492 http://deb.debian.org/debian sid/main arm64 libvorbisfile3 arm64 1.3.7-2+b1 [20.8 kB] Get:493 http://deb.debian.org/debian sid/main arm64 libopenmpt0t64 arm64 0.7.9-1 [740 kB] Get:494 http://deb.debian.org/debian sid/main arm64 librabbitmq4 arm64 0.14.0-1 [40.3 kB] Get:495 http://deb.debian.org/debian sid/main arm64 libcjson1 arm64 1.7.18-3+b1 [29.0 kB] Get:496 http://deb.debian.org/debian sid/main arm64 libmbedcrypto7t64 arm64 2.28.8-1 [269 kB] Get:497 http://deb.debian.org/debian sid/main arm64 librist4 arm64 0.2.10+dfsg-2 [68.1 kB] Get:498 http://deb.debian.org/debian sid/main arm64 libsrt1.5-gnutls arm64 1.5.4-1 [300 kB] Get:499 http://deb.debian.org/debian sid/main arm64 libssh-4 arm64 0.11.1-1 [195 kB] Get:500 http://deb.debian.org/debian sid/main arm64 libnorm1t64 arm64 1.5.9+dfsg-3.1+b1 [205 kB] Get:501 http://deb.debian.org/debian sid/main arm64 libpgm-5.3-0t64 arm64 5.3.128~dfsg-2.1+b1 [152 kB] Get:502 http://deb.debian.org/debian sid/main arm64 libsodium23 arm64 1.0.18-1+b2 [121 kB] Get:503 http://deb.debian.org/debian sid/main arm64 libzmq5 arm64 4.3.5-1+b3 [253 kB] Get:504 http://deb.debian.org/debian sid/main arm64 libavformat61 arm64 7:7.1-3 [1118 kB] Get:505 http://deb.debian.org/debian sid/main arm64 libavformat-dev arm64 7:7.1-3 [1374 kB] Get:506 http://deb.debian.org/debian sid/main arm64 libblosc1 arm64 1.21.5+ds-1+b2 [39.2 kB] Get:507 http://deb.debian.org/debian sid/main arm64 libblosc-dev arm64 1.21.5+ds-1+b2 [50.5 kB] Get:508 http://deb.debian.org/debian sid/main arm64 libboost1.83-dev arm64 1.83.0-3.2+b1 [10.6 MB] Get:509 http://deb.debian.org/debian sid/main arm64 libboost-dev arm64 1.83.0.2+b2 [3828 B] Get:510 http://deb.debian.org/debian sid/main arm64 libbz2-dev arm64 1.0.8-6 [31.9 kB] Get:511 http://deb.debian.org/debian sid/main arm64 libcfitsio10t64 arm64 4.5.0-5 [521 kB] Get:512 http://deb.debian.org/debian sid/main arm64 libcfitsio-dev arm64 4.5.0-5 [598 kB] Get:513 http://deb.debian.org/debian sid/main arm64 libcommons-parent-java all 56-1 [10.8 kB] Get:514 http://deb.debian.org/debian sid/main arm64 libcommons-logging-java all 1.3.0-1 [68.6 kB] Get:515 http://deb.debian.org/debian sid/main arm64 libdeflate-dev arm64 1.22-1 [51.2 kB] Get:516 http://deb.debian.org/debian sid/main arm64 libdouble-conversion-dev arm64 3.3.0-1+b2 [59.1 kB] Get:517 http://deb.debian.org/debian sid/main arm64 pkg-config arm64 1.8.1-4 [14.0 kB] Get:518 http://deb.debian.org/debian sid/main arm64 libeigen3-dev all 3.4.0-4 [1041 kB] Get:519 http://deb.debian.org/debian sid/main arm64 libhunspell-1.7-0 arm64 1.7.2+really1.7.2-10+b3 [218 kB] Get:520 http://deb.debian.org/debian sid/main arm64 libenchant-2-2 arm64 2.3.3-2+b3 [45.5 kB] Get:521 http://deb.debian.org/debian sid/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10+b1 [126 kB] Get:522 http://deb.debian.org/debian sid/main arm64 libevent-extra-2.1-7t64 arm64 2.1.12-stable-10+b1 [102 kB] Get:523 http://deb.debian.org/debian sid/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10+b1 [54.4 kB] Get:524 http://deb.debian.org/debian sid/main arm64 libevent-openssl-2.1-7t64 arm64 2.1.12-stable-10+b1 [60.4 kB] Get:525 http://deb.debian.org/debian sid/main arm64 libevent-dev arm64 2.1.12-stable-10+b1 [304 kB] Get:526 http://deb.debian.org/debian sid/main arm64 libexpat1-dev arm64 2.6.4-1 [143 kB] Get:527 http://deb.debian.org/debian sid/main arm64 librdmacm1t64 arm64 52.0-2+b1 [67.4 kB] Get:528 http://deb.debian.org/debian sid/main arm64 libfabric1 arm64 1.17.0-3.1 [480 kB] Get:529 http://deb.debian.org/debian sid/main arm64 libfftw3-double3 arm64 3.3.10-2 [337 kB] Get:530 http://deb.debian.org/debian sid/main arm64 libfftw3-long3 arm64 3.3.10-2 [546 kB] Get:531 http://deb.debian.org/debian sid/main arm64 libfftw3-single3 arm64 3.3.10-2 [516 kB] Get:532 http://deb.debian.org/debian sid/main arm64 libfftw3-bin arm64 3.3.10-2 [43.5 kB] Get:533 http://deb.debian.org/debian sid/main arm64 libfftw3-dev arm64 3.3.10-2 [1275 kB] Get:534 http://deb.debian.org/debian sid/main arm64 libfontbox-java all 1:1.8.16-5 [211 kB] Get:535 http://deb.debian.org/debian sid/main arm64 libpng-dev arm64 1.6.44-2 [360 kB] Get:536 http://deb.debian.org/debian sid/main arm64 libfreetype-dev arm64 2.13.3+dfsg-1 [600 kB] Get:537 http://deb.debian.org/debian sid/main arm64 uuid-dev arm64 2.40.2-11 [47.8 kB] Get:538 http://deb.debian.org/debian sid/main arm64 libfontconfig-dev arm64 2.15.0-1.1+b1 [411 kB] Get:539 http://deb.debian.org/debian sid/main arm64 libfontconfig1-dev arm64 2.15.0-1.1+b1 [269 kB] Get:540 http://deb.debian.org/debian sid/main arm64 libfontenc1 arm64 1:1.1.8-1+b1 [22.5 kB] Get:541 http://deb.debian.org/debian sid/main arm64 libminizip1t64 arm64 1:1.3.dfsg+really1.3.1-1+b1 [52.6 kB] Get:542 http://deb.debian.org/debian sid/main arm64 libfreexl1 arm64 2.0.0-1+b3 [38.3 kB] Get:543 http://deb.debian.org/debian sid/main arm64 libminizip-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [60.9 kB] Get:544 http://deb.debian.org/debian sid/main arm64 libfreexl-dev arm64 2.0.0-1+b3 [40.8 kB] Get:545 http://deb.debian.org/debian sid/main arm64 libfyba0t64 arm64 4.1.1-11+b1 [107 kB] Get:546 http://deb.debian.org/debian sid/main arm64 libfyba-dev arm64 4.1.1-11+b1 [170 kB] Get:547 http://deb.debian.org/debian sid/main arm64 libgeos3.13.0 arm64 3.13.0-1 [883 kB] Get:548 http://deb.debian.org/debian sid/main arm64 libgeos-c1t64 arm64 3.13.0-1 [92.7 kB] Get:549 http://deb.debian.org/debian sid/main arm64 proj-data all 9.5.0-1 [6293 kB] Get:550 http://deb.debian.org/debian sid/main arm64 libproj25 arm64 9.5.0-1 [1214 kB] Get:551 http://deb.debian.org/debian sid/main arm64 libgeotiff5 arm64 1.7.3-1+b1 [65.5 kB] Get:552 http://deb.debian.org/debian sid/main arm64 libhdf4-0-alt arm64 4.3.0-1+b1 [238 kB] Get:553 http://deb.debian.org/debian sid/main arm64 libjson-c5 arm64 0.18+ds-1 [45.2 kB] Get:554 http://deb.debian.org/debian sid/main arm64 liburiparser1 arm64 0.9.8+dfsg-2 [42.5 kB] Get:555 http://deb.debian.org/debian sid/main arm64 libkmlbase1t64 arm64 1.3.0-12+b1 [45.8 kB] Get:556 http://deb.debian.org/debian sid/main arm64 libkmldom1t64 arm64 1.3.0-12+b1 [142 kB] Get:557 http://deb.debian.org/debian sid/main arm64 libkmlengine1t64 arm64 1.3.0-12+b1 [72.1 kB] Get:558 http://deb.debian.org/debian sid/main arm64 libnetcdf19t64 arm64 1:4.9.2-7 [444 kB] Get:559 http://deb.debian.org/debian sid/main arm64 libodbc2 arm64 2.3.12-1+b3 [135 kB] Get:560 http://deb.debian.org/debian sid/main arm64 unixodbc-common all 2.3.12-1 [8496 B] Get:561 http://deb.debian.org/debian sid/main arm64 libodbcinst2 arm64 2.3.12-1+b3 [36.9 kB] Get:562 http://deb.debian.org/debian sid/main arm64 libogdi4.1 arm64 4.1.1+ds-5 [202 kB] Get:563 http://deb.debian.org/debian sid/main arm64 libgpgme11t64 arm64 1.24.0-2 [328 kB] Get:564 http://deb.debian.org/debian sid/main arm64 libgpgmepp6t64 arm64 1.24.0-2 [326 kB] Get:565 http://deb.debian.org/debian sid/main arm64 libpoppler140 arm64 24.08.0-3 [1853 kB] Get:566 http://deb.debian.org/debian sid/main arm64 libpq5 arm64 17.1-1 [216 kB] Get:567 http://deb.debian.org/debian sid/main arm64 libqhull-r8.0 arm64 2020.2-6+b2 [229 kB] Get:568 http://deb.debian.org/debian sid/main arm64 librttopo1 arm64 1.1.0-3+b2 [166 kB] Get:569 http://deb.debian.org/debian sid/main arm64 libspatialite8t64 arm64 5.1.0-3+b2 [1610 kB] Get:570 http://deb.debian.org/debian sid/main arm64 libxerces-c3.2t64 arm64 3.2.4+debian-1.3+b1 [790 kB] Get:571 http://deb.debian.org/debian sid/main arm64 libgdal35 arm64 3.9.3+dfsg-1+b1 [7956 kB] Get:572 http://deb.debian.org/debian sid/main arm64 libgeos-dev arm64 3.13.0-1 [58.2 kB] Get:573 http://deb.debian.org/debian sid/main arm64 libsqlite3-dev arm64 3.46.1-1 [1058 kB] Get:574 http://deb.debian.org/debian sid/main arm64 libjbig-dev arm64 2.1-6.1+b2 [30.5 kB] Get:575 http://deb.debian.org/debian sid/main arm64 liblzma-dev arm64 5.6.3-1+b1 [312 kB] Get:576 http://deb.debian.org/debian sid/main arm64 libwebpdemux2 arm64 1.4.0-0.1+b1 [110 kB] Get:577 http://deb.debian.org/debian sid/main arm64 libwebpdecoder3 arm64 1.4.0-0.1+b1 [179 kB] Get:578 http://deb.debian.org/debian sid/main arm64 libsharpyuv-dev arm64 1.4.0-0.1+b1 [115 kB] Get:579 http://deb.debian.org/debian sid/main arm64 libwebp-dev arm64 1.4.0-0.1+b1 [400 kB] Get:580 http://deb.debian.org/debian sid/main arm64 libtiffxx6 arm64 4.5.1+git230720-5 [149 kB] Get:581 http://deb.debian.org/debian sid/main arm64 liblerc-dev arm64 4.0.0+ds-5 [164 kB] Get:582 http://deb.debian.org/debian sid/main arm64 libtiff-dev arm64 4.5.1+git230720-5 [451 kB] Get:583 http://deb.debian.org/debian sid/main arm64 libproj-dev arm64 9.5.0-1 [135 kB] Get:584 http://deb.debian.org/debian sid/main arm64 libgeotiff-dev arm64 1.7.3-1+b1 [96.3 kB] Get:585 http://deb.debian.org/debian sid/main arm64 libgif-dev arm64 5.2.2-1+b1 [47.3 kB] Get:586 http://deb.debian.org/debian sid/main arm64 libicu-dev arm64 72.1-5+b1 [10.3 MB] Get:587 http://deb.debian.org/debian sid/main arm64 libxml2-dev arm64 2.12.7+dfsg+really2.9.14-0.2+b1 [751 kB] Get:588 http://deb.debian.org/debian sid/main arm64 libnetcdf-dev arm64 1:4.9.2-7 [103 kB] Get:589 http://deb.debian.org/debian sid/main arm64 libhdf4-alt-dev arm64 4.3.0-1+b1 [317 kB] Get:590 http://deb.debian.org/debian sid/main arm64 libheif-dev arm64 1.19.3-1 [50.8 kB] Get:591 http://deb.debian.org/debian sid/main arm64 libjson-c-dev arm64 0.18+ds-1 [75.1 kB] Get:592 http://deb.debian.org/debian sid/main arm64 libkmlconvenience1t64 arm64 1.3.0-12+b1 [45.3 kB] Get:593 http://deb.debian.org/debian sid/main arm64 libkmlregionator1t64 arm64 1.3.0-12+b1 [20.8 kB] Get:594 http://deb.debian.org/debian sid/main arm64 libkmlxsd1t64 arm64 1.3.0-12+b1 [29.3 kB] Get:595 http://deb.debian.org/debian sid/main arm64 liburiparser-dev arm64 0.9.8+dfsg-2 [26.7 kB] Get:596 http://deb.debian.org/debian sid/main arm64 libkml-dev arm64 1.3.0-12+b1 [662 kB] Get:597 http://deb.debian.org/debian sid/main arm64 libltdl-dev arm64 2.4.7-8 [165 kB] Get:598 http://deb.debian.org/debian sid/main arm64 liblz4-dev arm64 1.9.4-3+b1 [79.1 kB] Get:599 http://deb.debian.org/debian sid/main arm64 libtirpc-dev arm64 1.3.4+ds-1.3+b1 [192 kB] Get:600 http://deb.debian.org/debian sid/main arm64 libogdi-dev arm64 4.1.1+ds-5 [35.5 kB] Get:601 http://deb.debian.org/debian sid/main arm64 libopenjp2-7-dev arm64 2.5.0-2+b4 [264 kB] Get:602 http://deb.debian.org/debian sid/main arm64 libpcre2-32-0 arm64 10.44-4 [220 kB] Get:603 http://deb.debian.org/debian sid/main arm64 libpcre2-posix3 arm64 10.44-4 [60.4 kB] Get:604 http://deb.debian.org/debian sid/main arm64 libpcre2-dev arm64 10.44-4 [704 kB] Get:605 http://deb.debian.org/debian sid/main arm64 libpoppler-dev arm64 24.08.0-3 [8484 B] Get:606 http://deb.debian.org/debian sid/main arm64 libpoppler-private-dev arm64 24.08.0-3 [193 kB] Get:607 http://deb.debian.org/debian sid/main arm64 libpq-dev arm64 17.1-1 [144 kB] Get:608 http://deb.debian.org/debian sid/main arm64 libqhull8.0 arm64 2020.2-6+b2 [228 kB] Get:609 http://deb.debian.org/debian sid/main arm64 libqhullcpp8.0 arm64 2020.2-6+b2 [104 kB] Get:610 http://deb.debian.org/debian sid/main arm64 libqhull-dev arm64 2020.2-6+b2 [478 kB] Get:611 http://deb.debian.org/debian sid/main arm64 librttopo-dev arm64 1.1.0-3+b2 [212 kB] Get:612 http://deb.debian.org/debian sid/main arm64 libspatialite-dev arm64 5.1.0-3+b2 [1930 kB] Get:613 http://deb.debian.org/debian sid/main arm64 libxerces-c-dev arm64 3.2.4+debian-1.3+b1 [1650 kB] Get:614 http://deb.debian.org/debian sid/main arm64 libodbccr2 arm64 2.3.12-1+b3 [17.1 kB] Get:615 http://deb.debian.org/debian sid/main arm64 unixodbc-dev arm64 2.3.12-1+b3 [216 kB] Get:616 http://deb.debian.org/debian sid/main arm64 libgdal-dev arm64 3.9.3+dfsg-1+b1 [537 kB] Get:617 http://deb.debian.org/debian sid/main arm64 libgl2ps1.4 arm64 1.4.2+dfsg1-2+b1 [37.0 kB] Get:618 http://deb.debian.org/debian sid/main arm64 libgl2ps-dev arm64 1.4.2+dfsg1-2+b1 [23.5 kB] Get:619 http://deb.debian.org/debian sid/main arm64 libglew2.2 arm64 2.2.0-4+b2 [162 kB] Get:620 http://deb.debian.org/debian sid/main arm64 libglew-dev arm64 2.2.0-4+b2 [261 kB] Get:621 http://deb.debian.org/debian sid/main arm64 libhwloc15 arm64 2.11.2-1 [141 kB] Get:622 http://deb.debian.org/debian sid/main arm64 libmunge2 arm64 0.5.15-4+b1 [19.4 kB] Get:623 http://deb.debian.org/debian sid/main arm64 libpciaccess0 arm64 0.17-3+b2 [51.2 kB] Get:624 http://deb.debian.org/debian sid/main arm64 libxnvctrl0 arm64 535.171.04-1+b1 [14.1 kB] Get:625 http://deb.debian.org/debian sid/main arm64 libhwloc-plugins arm64 2.11.2-1 [17.9 kB] Get:626 http://deb.debian.org/debian sid/main arm64 libpmix2t64 arm64 5.0.3-2+b1 [588 kB] Get:627 http://deb.debian.org/debian sid/main arm64 libibumad3 arm64 52.0-2+b1 [27.1 kB] Get:628 http://deb.debian.org/debian sid/main arm64 libibmad5 arm64 52.0-2+b1 [41.5 kB] Get:629 http://deb.debian.org/debian sid/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get:630 http://deb.debian.org/debian sid/main arm64 libopenmpi3t64 arm64 5.0.5-6 [1806 kB] Get:631 http://deb.debian.org/debian sid/main arm64 libhdf5-openmpi-103-1t64 arm64 1.10.10+repack-4 [1095 kB] Get:632 http://deb.debian.org/debian sid/main arm64 libhdf5-openmpi-fortran-102t64 arm64 1.10.10+repack-4 [88.6 kB] Get:633 http://deb.debian.org/debian sid/main arm64 libhdf5-openmpi-hl-100t64 arm64 1.10.10+repack-4 [60.9 kB] Get:634 http://deb.debian.org/debian sid/main arm64 libhdf5-openmpi-hl-fortran-100t64 arm64 1.10.10+repack-4 [39.1 kB] Get:635 http://deb.debian.org/debian sid/main arm64 libhdf5-openmpi-cpp-103-1t64 arm64 1.10.10+repack-4 [118 kB] Get:636 http://deb.debian.org/debian sid/main arm64 libhdf5-openmpi-hl-cpp-100t64 arm64 1.10.10+repack-4 [21.4 kB] Get:637 http://deb.debian.org/debian sid/main arm64 openmpi-common all 5.0.5-6 [95.0 kB] Get:638 http://deb.debian.org/debian sid/main arm64 libnl-3-dev arm64 3.7.0-0.3+b1 [101 kB] Get:639 http://deb.debian.org/debian sid/main arm64 libnl-route-3-dev arm64 3.7.0-0.3+b1 [198 kB] Get:640 http://deb.debian.org/debian sid/main arm64 libibverbs-dev arm64 52.0-2+b1 [625 kB] Get:641 http://deb.debian.org/debian sid/main arm64 libnuma-dev arm64 2.0.18-1+b1 [37.8 kB] Get:642 http://deb.debian.org/debian sid/main arm64 libhwloc-dev arm64 2.11.2-1 [237 kB] Get:643 http://deb.debian.org/debian sid/main arm64 libpmix-dev arm64 5.0.3-2+b1 [3930 kB] Get:644 http://deb.debian.org/debian sid/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get:645 http://deb.debian.org/debian sid/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get:646 http://deb.debian.org/debian sid/main arm64 openmpi-bin arm64 5.0.5-6 [180 kB] Get:647 http://deb.debian.org/debian sid/main arm64 libopenmpi-dev arm64 5.0.5-6 [1087 kB] Get:648 http://deb.debian.org/debian sid/main arm64 libhdf5-openmpi-dev arm64 1.10.10+repack-4 [2782 kB] Get:649 http://deb.debian.org/debian sid/main arm64 mpi-default-dev arm64 1.17 [3148 B] Get:650 http://deb.debian.org/debian sid/main arm64 libhdf5-mpi-dev arm64 1.10.10+repack-4 [15.6 kB] Get:651 http://deb.debian.org/debian sid/main arm64 libice-dev arm64 2:1.1.1-1 [73.0 kB] Get:652 http://deb.debian.org/debian sid/main arm64 libjs-mathjax all 2.7.9+dfsg-1 [5667 kB] Get:653 http://deb.debian.org/debian sid/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get:654 http://deb.debian.org/debian sid/main arm64 libjs-sphinxdoc all 7.4.7-4 [158 kB] Get:655 http://deb.debian.org/debian sid/main arm64 libjson-perl all 4.10000-1 [87.5 kB] Get:656 http://deb.debian.org/debian sid/main arm64 libjsoncpp-dev arm64 1.9.6-2 [24.9 kB] Get:657 http://deb.debian.org/debian sid/main arm64 libkim-api2 arm64 2.3.0-1+b2 [532 kB] Get:658 http://deb.debian.org/debian sid/main arm64 libkim-api-dev arm64 2.3.0-1+b2 [104 kB] Get:659 http://deb.debian.org/debian sid/main arm64 libogg-dev arm64 1.3.5-3+b2 [200 kB] Get:660 http://deb.debian.org/debian sid/main arm64 libpdfbox-java all 1:1.8.16-5 [5527 kB] Get:661 http://deb.debian.org/debian sid/main arm64 libpnetcdf0d arm64 1.13.0-1+b1 [282 kB] Get:662 http://deb.debian.org/debian sid/main arm64 libpnetcdf-dev arm64 1.13.0-1+b1 [1046 kB] Get:663 http://deb.debian.org/debian sid/main arm64 libpython3.12t64 arm64 3.12.7-3 [1982 kB] Get:664 http://deb.debian.org/debian sid/main arm64 libpython3.12-dev arm64 3.12.7-3 [4792 kB] Get:665 http://deb.debian.org/debian sid/main arm64 libpython3-dev arm64 3.12.7-1 [9980 B] Get:666 http://deb.debian.org/debian sid/main arm64 libpython3.13-stdlib arm64 3.13.0-2 [1922 kB] Get:667 http://deb.debian.org/debian sid/main arm64 libpython3.13 arm64 3.13.0-2 [1960 kB] Get:668 http://deb.debian.org/debian sid/main arm64 libpython3.13-dev arm64 3.13.0-2 [4671 kB] Get:669 http://deb.debian.org/debian sid/main arm64 libpython3-all-dev arm64 3.12.7-1 [1072 B] Get:670 http://deb.debian.org/debian sid/main arm64 libqt5designer5 arm64 5.15.15-2 [2718 kB] Get:671 http://deb.debian.org/debian sid/main arm64 libqt5designercomponents5 arm64 5.15.15-2 [702 kB] Get:672 http://deb.debian.org/debian sid/main arm64 libqt5help5 arm64 5.15.15-2 [144 kB] Get:673 http://deb.debian.org/debian sid/main arm64 libqt5opengl5t64 arm64 5.15.15+dfsg-2 [144 kB] Get:674 http://deb.debian.org/debian sid/main arm64 libqt5opengl5-dev arm64 5.15.15+dfsg-2 [51.4 kB] Get:675 http://deb.debian.org/debian sid/main arm64 libqt5sql5-sqlite arm64 5.15.15+dfsg-2 [58.2 kB] Get:676 http://deb.debian.org/debian sid/main arm64 libsm-dev arm64 2:1.2.4-1 [38.0 kB] Get:677 http://deb.debian.org/debian sid/main arm64 libswscale8 arm64 7:7.1-3 [198 kB] Get:678 http://deb.debian.org/debian sid/main arm64 libswscale-dev arm64 7:7.1-3 [219 kB] Get:679 http://deb.debian.org/debian sid/main arm64 libsymspg2 arm64 2.5.0-1+b1 [192 kB] Get:680 http://deb.debian.org/debian sid/main arm64 libsymspg-dev arm64 2.5.0-1+b1 [37.2 kB] Get:681 http://deb.debian.org/debian sid/main arm64 libtbbmalloc2 arm64 2021.12.0-1 [35.2 kB] Get:682 http://deb.debian.org/debian sid/main arm64 libtbbbind-2-5 arm64 2021.12.0-1 [14.1 kB] Get:683 http://deb.debian.org/debian sid/main arm64 libtbb12 arm64 2021.12.0-1 [63.5 kB] Get:684 http://deb.debian.org/debian sid/main arm64 libtbb-dev arm64 2021.12.0-1 [193 kB] Get:685 http://deb.debian.org/debian sid/main arm64 libtcl8.6 arm64 8.6.15+dfsg-2 [982 kB] Get:686 http://deb.debian.org/debian sid/main arm64 libtheora-dev arm64 1.1.1+dfsg.1-17 [170 kB] Get:687 http://deb.debian.org/debian sid/main arm64 libxss1 arm64 1:1.2.3-1+b2 [17.1 kB] Get:688 http://deb.debian.org/debian sid/main arm64 libtk8.6 arm64 8.6.15-1 [738 kB] Get:689 http://deb.debian.org/debian sid/main arm64 libutfcpp-dev all 3.2.5+really3.2.4-2 [11.8 kB] Get:690 http://deb.debian.org/debian sid/main arm64 libvoro++1 arm64 0.5+revert-to-0.4.6+dfsg1-1+b1 [109 kB] Get:691 http://deb.debian.org/debian sid/main arm64 libvtk9.3 arm64 9.3.0+dfsg1-1+b3 [20.7 MB] Get:692 http://deb.debian.org/debian sid/main arm64 libvtk9.3-qt arm64 9.3.0+dfsg1-1+b3 [163 kB] Get:693 http://deb.debian.org/debian sid/main arm64 libvtk9-java arm64 9.3.0+dfsg1-1+b3 [6338 kB] Get:694 http://deb.debian.org/debian sid/main arm64 libxrender-dev arm64 1:0.9.10-1.1+b2 [35.7 kB] Get:695 http://deb.debian.org/debian sid/main arm64 libxft-dev arm64 2.3.6-1+b2 [72.0 kB] Get:696 http://deb.debian.org/debian sid/main arm64 libxss-dev arm64 1:1.2.3-1+b2 [22.8 kB] Get:697 http://deb.debian.org/debian sid/main arm64 libxt-dev arm64 1:1.2.1-1.2+b1 [403 kB] Get:698 http://deb.debian.org/debian sid/main arm64 mpi-default-bin arm64 1.17 [2372 B] Get:699 http://deb.debian.org/debian sid/main arm64 python3-mpi4py arm64 4.0.0-9+b1 [1202 kB] Get:700 http://deb.debian.org/debian sid/main arm64 python3-vtk9 arm64 9.3.0+dfsg1-1+b3 [7011 kB] Get:701 http://deb.debian.org/debian sid/main arm64 tcl8.6 arm64 8.6.15+dfsg-2 [121 kB] Get:702 http://deb.debian.org/debian sid/main arm64 tcl8.6-dev arm64 8.6.15+dfsg-2 [1009 kB] Get:703 http://deb.debian.org/debian sid/main arm64 tcl arm64 8.6.14 [4032 B] Get:704 http://deb.debian.org/debian sid/main arm64 tcl-dev arm64 8.6.14 [6572 B] Get:705 http://deb.debian.org/debian sid/main arm64 tk8.6 arm64 8.6.15-1 [69.7 kB] Get:706 http://deb.debian.org/debian sid/main arm64 tk8.6-dev arm64 8.6.15-1 [761 kB] Get:707 http://deb.debian.org/debian sid/main arm64 tk arm64 8.6.14 [4076 B] Get:708 http://deb.debian.org/debian sid/main arm64 tk-dev arm64 8.6.14 [3892 B] Get:709 http://deb.debian.org/debian sid/main arm64 vtk9 arm64 9.3.0+dfsg1-1+b3 [19.5 kB] Get:710 http://deb.debian.org/debian sid/main arm64 libvtk9-dev arm64 9.3.0+dfsg1-1+b3 [3052 kB] Get:711 http://deb.debian.org/debian sid/main arm64 qdoc-qt5 arm64 5.15.15-2 [545 kB] Get:712 http://deb.debian.org/debian sid/main arm64 qhelpgenerator-qt5 arm64 5.15.15-2 [57.1 kB] Get:713 http://deb.debian.org/debian sid/main arm64 qt5-assistant arm64 5.15.15-2 [344 kB] Get:714 http://deb.debian.org/debian sid/main arm64 qtattributionsscanner-qt5 arm64 5.15.15-2 [30.6 kB] Get:715 http://deb.debian.org/debian sid/main arm64 qttools5-dev-tools arm64 5.15.15-2 [1007 kB] Get:716 http://deb.debian.org/debian sid/main arm64 qttools5-dev arm64 5.15.15-2 [189 kB] Get:717 http://deb.debian.org/debian sid/main arm64 qttools5-private-dev arm64 5.15.15-2 [73.7 kB] Get:718 http://deb.debian.org/debian sid/main arm64 libvtk9-qt-dev arm64 9.3.0+dfsg1-1+b3 [32.3 kB] Get:719 http://deb.debian.org/debian sid/main arm64 opencl-c-headers all 3.0~2024.05.08-1 [46.1 kB] Get:720 http://deb.debian.org/debian sid/main arm64 opencl-clhpp-headers all 3.0~2024.05.08-1 [49.8 kB] Get:721 http://deb.debian.org/debian sid/main arm64 ocl-icd-opencl-dev arm64 2.3.2-1+b2 [8660 B] Get:722 http://deb.debian.org/debian sid/main arm64 preview-latex-style all 13.2-1 [350 kB] Get:723 http://deb.debian.org/debian sid/main arm64 python3-packaging all 24.2-1 [55.3 kB] Get:724 http://deb.debian.org/debian sid/main arm64 python3-pyproject-hooks all 1.2.0-1 [11.7 kB] Get:725 http://deb.debian.org/debian sid/main arm64 python3-toml all 0.10.2-1 [16.2 kB] Get:726 http://deb.debian.org/debian sid/main arm64 python3-wheel all 0.45.0-1 [56.7 kB] Get:727 http://deb.debian.org/debian sid/main arm64 python3-build all 1.2.2-1 [36.0 kB] Get:728 http://deb.debian.org/debian sid/main arm64 python3-installer all 0.7.0+dfsg1-3 [18.6 kB] Get:729 http://deb.debian.org/debian sid/main arm64 pybuild-plugin-pyproject all 6.20241024 [11.4 kB] Get:730 http://deb.debian.org/debian sid/main arm64 python-babel-localedata all 2.16.0-1 [5696 kB] Get:731 http://deb.debian.org/debian sid/main arm64 python3-alabaster all 0.7.16-0.1 [27.9 kB] Get:732 http://deb.debian.org/debian sid/main arm64 python3.13 arm64 3.13.0-2 [730 kB] Get:733 http://deb.debian.org/debian sid/main arm64 python3-all arm64 3.12.7-1 [1052 B] Get:734 http://deb.debian.org/debian sid/main arm64 python3.12-dev arm64 3.12.7-3 [505 kB] Get:735 http://deb.debian.org/debian sid/main arm64 python3-dev arm64 3.12.7-1 [26.1 kB] Get:736 http://deb.debian.org/debian sid/main arm64 python3.13-dev arm64 3.13.0-2 [504 kB] Get:737 http://deb.debian.org/debian sid/main arm64 python3-all-dev arm64 3.12.7-1 [1076 B] Get:738 http://deb.debian.org/debian sid/main arm64 python3-babel all 2.16.0-1 [114 kB] Get:739 http://deb.debian.org/debian sid/main arm64 python3-roman all 4.2-1 [10.4 kB] Get:740 http://deb.debian.org/debian sid/main arm64 python3-docutils all 0.21.2+dfsg-2 [403 kB] Get:741 http://deb.debian.org/debian sid/main arm64 python3-defusedxml all 0.7.1-2 [43.3 kB] Get:742 http://deb.debian.org/debian sid/main arm64 sphinx-common all 7.4.7-4 [731 kB] Get:743 http://deb.debian.org/debian sid/main arm64 python3-imagesize all 1.4.1-1 [6688 B] Get:744 http://deb.debian.org/debian sid/main arm64 python3-markupsafe arm64 2.1.5-1+b3 [14.0 kB] Get:745 http://deb.debian.org/debian sid/main arm64 python3-jinja2 all 3.1.3-1 [119 kB] Get:746 http://deb.debian.org/debian sid/main arm64 python3-pygments all 2.18.0+dfsg-1 [836 kB] Get:747 http://deb.debian.org/debian sid/main arm64 python3-certifi all 2024.8.30+dfsg-1 [9576 B] Get:748 http://deb.debian.org/debian sid/main arm64 python3-charset-normalizer arm64 3.4.0-1+b1 [129 kB] Get:749 http://deb.debian.org/debian sid/main arm64 python3-idna all 3.8-2 [41.6 kB] Get:750 http://deb.debian.org/debian sid/main arm64 python3-urllib3 all 2.0.7-2 [111 kB] Get:751 http://deb.debian.org/debian sid/main arm64 python3-chardet all 5.2.0+dfsg-1 [107 kB] Get:752 http://deb.debian.org/debian sid/main arm64 python3-requests all 2.32.3+dfsg-1 [71.9 kB] Get:753 http://deb.debian.org/debian sid/main arm64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get:754 http://deb.debian.org/debian sid/main arm64 python3-sphinx all 7.4.7-4 [588 kB] Get:755 http://deb.debian.org/debian sid/main arm64 python3-breathe all 4.35.0-3 [78.2 kB] Get:756 http://deb.debian.org/debian sid/main arm64 python3-enchant all 3.2.2-1 [39.2 kB] Get:757 http://deb.debian.org/debian sid/main arm64 python3-pip-whl all 24.3.1+dfsg-1 [1501 kB] Get:758 http://deb.debian.org/debian sid/main arm64 python3-setuptools-whl all 75.2.0-1 [1249 kB] Get:759 http://deb.debian.org/debian sid/main arm64 python3-sphinx-tabs all 3.4.4-1 [14.8 kB] Get:760 http://deb.debian.org/debian sid/main arm64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get:761 http://deb.debian.org/debian sid/main arm64 python3-sphinxcontrib.spelling all 7.7.0-1 [34.3 kB] Get:762 http://deb.debian.org/debian sid/main arm64 python3.12-venv arm64 3.12.7-3 [5836 B] Get:763 http://deb.debian.org/debian sid/main arm64 python3-venv arm64 3.12.7-1 [1180 B] Get:764 http://deb.debian.org/debian sid/main arm64 sphinx-rtd-theme-common all 3.0.1+dfsg-1 [1022 kB] Get:765 http://deb.debian.org/debian sid/main arm64 xfonts-encodings all 1:1.0.4-2.2 [577 kB] Get:766 http://deb.debian.org/debian sid/main arm64 xfonts-utils arm64 1:7.7+7 [89.3 kB] Get:767 http://deb.debian.org/debian sid/main arm64 tex-gyre all 20180621-6 [6209 kB] Get:768 http://deb.debian.org/debian sid/main arm64 texlive-fonts-recommended all 2024.20241102-1 [4991 kB] Get:769 http://deb.debian.org/debian sid/main arm64 texlive-latex-recommended all 2024.20241102-1 [8757 kB] Get:770 http://deb.debian.org/debian sid/main arm64 texlive-pictures all 2024.20241102-1 [17.0 MB] Get:771 http://deb.debian.org/debian sid/main arm64 texlive-latex-extra all 2024.20241102-1 [24.6 MB] Get:772 http://deb.debian.org/debian sid/main arm64 voro++-dev arm64 0.5+revert-to-0.4.6+dfsg1-1+b1 [139 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 761 MB in 9s (86.7 MB/s) Selecting previously unselected package libapparmor1:arm64. (Reading database ... 17119 files and directories currently installed.) Preparing to unpack .../libapparmor1_3.1.7-1+b3_arm64.deb ... Unpacking libapparmor1:arm64 (3.1.7-1+b3) ... Selecting previously unselected package libsystemd-shared:arm64. Preparing to unpack .../libsystemd-shared_257~rc2-3_arm64.deb ... Unpacking libsystemd-shared:arm64 (257~rc2-3) ... Selecting previously unselected package systemd. Preparing to unpack .../systemd_257~rc2-3_arm64.deb ... Unpacking systemd (257~rc2-3) ... Setting up libapparmor1:arm64 (3.1.7-1+b3) ... Setting up libsystemd-shared:arm64 (257~rc2-3) ... Setting up systemd (257~rc2-3) ... Created symlink '/etc/systemd/system/getty.target.wants/getty@tty1.service' → '/usr/lib/systemd/system/getty@.service'. Created symlink '/etc/systemd/system/multi-user.target.wants/remote-fs.target' → '/usr/lib/systemd/system/remote-fs.target'. Created symlink '/etc/systemd/system/sysinit.target.wants/systemd-pstore.service' → '/usr/lib/systemd/system/systemd-pstore.service'. Initializing machine ID from random generator. Creating group 'systemd-journal' with GID 997. Creating group 'systemd-network' with GID 996. Creating user 'systemd-network' (systemd Network Management) with UID 996 and GID 996. /usr/lib/tmpfiles.d/legacy.conf:13: Duplicate line for path "/run/lock", ignoring. Selecting previously unselected package systemd-sysv. (Reading database ... 18067 files and directories currently installed.) Preparing to unpack .../0-systemd-sysv_257~rc2-3_arm64.deb ... Unpacking systemd-sysv (257~rc2-3) ... Selecting previously unselected package libdbus-1-3:arm64. Preparing to unpack .../1-libdbus-1-3_1.14.10-6_arm64.deb ... Unpacking libdbus-1-3:arm64 (1.14.10-6) ... Selecting previously unselected package dbus-bin. Preparing to unpack .../2-dbus-bin_1.14.10-6_arm64.deb ... Unpacking dbus-bin (1.14.10-6) ... 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Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3 to /lib/aarch64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3.0.0 to /lib/aarch64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:arm64 (1.3.4+ds-1.3+b1) ... Selecting previously unselected package libnsl2:arm64. Preparing to unpack .../5-libnsl2_1.3.0-3+b3_arm64.deb ... Unpacking libnsl2:arm64 (1.3.0-3+b3) ... Selecting previously unselected package libpython3.12-stdlib:arm64. Preparing to unpack .../6-libpython3.12-stdlib_3.12.7-3_arm64.deb ... Unpacking libpython3.12-stdlib:arm64 (3.12.7-3) ... Selecting previously unselected package python3.12. Preparing to unpack .../7-python3.12_3.12.7-3_arm64.deb ... Unpacking python3.12 (3.12.7-3) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../8-libpython3-stdlib_3.12.7-1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.12.7-1) ... 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Setting up libnuma1:arm64 (2.0.18-1+b1) ... Setting up libpcre2-posix3:arm64 (10.44-4) ... Setting up libfyba0t64:arm64 (4.1.1-11+b1) ... Setting up libvpx9:arm64 (1.14.1-1+b1) ... Setting up dwz (0.15-1+b1) ... Setting up libsrt1.5-gnutls:arm64 (1.5.4-1) ... Setting up libdav1d7:arm64 (1.5.0-1+b1) ... Setting up libmtdev1t64:arm64 (1.1.6-1.2+b1) ... Setting up libminizip1t64:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up ocl-icd-libopencl1:arm64 (2.3.2-1+b2) ... Setting up libgif-dev:arm64 (5.2.2-1+b1) ... Setting up libxshmfence1:arm64 (1.3-1+b2) ... Setting up libhwasan0:arm64 (14.2.0-8) ... Setting up at-spi2-common (2.54.0-1) ... Setting up libcrypt-dev:arm64 (1:4.4.36-5) ... Setting up cfortran (20210827-1) ... Setting up libtiff6:arm64 (4.5.1+git230720-5) ... Setting up libxcb-randr0:arm64 (1.17.0-2+b1) ... Setting up dbus-session-bus-common (1.14.10-6) ... Setting up librav1e0.7:arm64 (0.7.1-7+b2) ... Setting up libasan8:arm64 (14.2.0-8) ... Setting up procps (2:4.0.4-6) ... Setting up libjson-perl (4.10000-1) ... Setting up libxslt1.1:arm64 (1.1.35-1.1+b1) ... Setting up libblosc1:arm64 (1.21.5+ds-1+b2) ... Setting up libnl-3-200:arm64 (3.7.0-0.3+b1) ... Setting up openmpi-common (5.0.5-6) ... Setting up libqt5sql5t64:arm64 (5.15.15+dfsg-2) ... Setting up libmd4c0:arm64 (0.5.2-2+b1) ... Setting up fonts-lmodern (2.005-1) ... Setting up libopenjp2-7:arm64 (2.5.0-2+b4) ... Setting up python3.13-minimal (3.13.0-2) ... Setting up git-man (1:2.45.2-1.2) ... Setting up libx11-6:arm64 (2:1.8.10-2) ... Setting up libthai-data (0.1.29-2) ... Setting up xorg-sgml-doctools (1:1.11-1.1) ... Setting up libgdk-pixbuf-2.0-0:arm64 (2.42.12+dfsg-1+b1) ... Setting up libabsl20230802:arm64 (20230802.1-4) ... Setting up libgts-0.7-5t64:arm64 (0.7.6+darcs121130-5.2+b1) ... Setting up sgml-base (1.31) ... Setting up cmake-data (3.31.0-1) ... Setting up librhash1:arm64 (1.4.5-1) ... Setting up libcdt5:arm64 (2.42.4-2+b1) ... Setting up libcgraph6:arm64 (2.42.4-2+b1) ... Setting up libevent-core-2.1-7t64:arm64 (2.1.12-stable-10+b1) ... Setting up libglu1-mesa:arm64 (9.0.2-1.1+b2) ... Setting up libgpgme11t64:arm64 (1.24.0-2) ... Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libwayland-egl1:arm64 (1.23.0-1+b1) ... Setting up libtsan2:arm64 (14.2.0-8) ... Setting up libopengl-dev:arm64 (1.7.0-1+b2) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up ca-certificates-java (20240118) ... No JRE found. Skipping Java certificates setup. Setting up libhunspell-1.7-0:arm64 (1.7.2+really1.7.2-10+b3) ... Setting up dbus-system-bus-common (1.14.10-6) ... Setting up libfido2-1:arm64 (1.15.0-1+b1) ... Setting up libisl23:arm64 (0.27-1) ... Setting up libde265-0:arm64 (1.0.15-1+b2) ... Setting up libsharpyuv-dev:arm64 (1.4.0-0.1+b1) ... Setting up libc-dev-bin (2.40-3) ... Setting up libkmlbase1t64:arm64 (1.3.0-12+b1) ... Setting up libvoro++1 (0.5+revert-to-0.4.6+dfsg1-1+b1) ... Setting up libtasn1-6-dev:arm64 (4.19.0-3+b3) ... Setting up libwebpmux3:arm64 (1.4.0-0.1+b1) ... Setting up libtiffxx6:arm64 (4.5.1+git230720-5) ... Setting up libdeflate-dev:arm64 (1.22-1) ... Setting up libdrm-common (2.4.123-1) ... Setting up libyuv0:arm64 (0.0.1888.20241107-1) ... Setting up libxcomposite1:arm64 (1:0.4.6-1) ... Setting up libarchive13t64:arm64 (3.7.4-1.1) ... Setting up libpython3.13-stdlib:arm64 (3.13.0-2) ... Setting up libjson-c5:arm64 (0.18+ds-1) ... Setting up libevdev2:arm64 (1.13.3+dfsg-1) ... Setting up fonts-font-awesome (5.0.10+really4.7.0~dfsg-4.1) ... Setting up sphinx-rtd-theme-common (3.0.1+dfsg-1) ... Setting up xdg-utils (1.1.3-4.1) ... update-alternatives: using /usr/bin/xdg-open to provide /usr/bin/open (open) in auto mode Setting up libcc1-0:arm64 (14.2.0-8) ... Setting up dbus-bin (1.14.10-6) ... Setting up libbrotli-dev:arm64 (1.1.0-2+b6) ... Setting up libgudev-1.0-0:arm64 (238-5+b1) ... Setting up libfmt10:arm64 (10.1.1+ds1-4) ... Setting up libzvbi-common (0.2.42-2) ... Setting up liblsan0:arm64 (14.2.0-8) ... Setting up qtchooser (66-2+b1) ... Setting up libgstreamer1.0-0:arm64 (1.24.9-1) ... Setcap worked! gst-ptp-helper is not suid! Setting up libp11-kit-dev:arm64 (0.25.5-2+b1) ... Setting up libmp3lame0:arm64 (3.100-6+b3) ... Setting up libblas-dev:arm64 (3.12.0-3+b1) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so to provide /usr/lib/aarch64-linux-gnu/libblas.so (libblas.so-aarch64-linux-gnu) in auto mode Setting up libsz2:arm64 (1.1.3-1+b1) ... Setting up libitm1:arm64 (14.2.0-8) ... Setting up libvorbisenc2:arm64 (1.3.7-2+b1) ... Setting up libsynctex2:arm64 (2024.20240313.70630+ds-5) ... Setting up libdvdnav4:arm64 (6.1.1-3+b1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up libkadm5clnt-mit12:arm64 (1.21.3-3) ... Setting up libodbccr2:arm64 (2.3.12-1+b3) ... Setting up gdal-plugins:arm64 (3.9.3+dfsg-1+b1) ... Setting up libwacom-common (2.13.0-1) ... Setting up libxkbcommon0:arm64 (1.7.0-1) ... Setting up libpotrace0:arm64 (1.16-2+b2) ... Setting up libwayland-client0:arm64 (1.23.0-1+b1) ... Setting up libpython3.13:arm64 (3.13.0-2) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up x11proto-dev (2024.1-1) ... Setting up libxcb-dri3-0:arm64 (1.17.0-2+b1) ... Setting up libllvm19:arm64 (1:19.1.3-2) ... Setting up libgpgmepp6t64:arm64 (1.24.0-2) ... Setting up gtk-update-icon-cache (4.16.5+ds-2) ... Setting up libx11-xcb1:arm64 (2:1.8.10-2) ... Setting up libice6:arm64 (2:1.1.1-1) ... Setting up libjsoncpp-dev:arm64 (1.9.6-2) ... Setting up libodbcinst2:arm64 (2.3.12-1+b3) ... Setting up tcl8.6 (8.6.15+dfsg-2) ... Setting up liblapack3:arm64 (3.12.0-3+b1) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode Setting up libqt5dbus5t64:arm64 (5.15.15+dfsg-2) ... Setting up libkmlxsd1t64:arm64 (1.3.0-12+b1) ... Setting up libarpack2t64:arm64 (3.9.1-1.1+b2) ... Setting up libcfitsio-dev:arm64 (4.5.0-5) ... Setting up libxdamage1:arm64 (1:1.1.6-1+b2) ... Setting up libgmp-dev:arm64 (2:6.3.0+dfsg-2+b2) ... Setting up libatk1.0-0t64:arm64 (2.54.0-1) ... Setting up libclang1-19 (1:19.1.3-2) ... Setting up libzmq5:arm64 (4.3.5-1+b3) ... Setting up libpdfbox-java (1:1.8.16-5) ... Setting up libxau-dev:arm64 (1:1.0.11-1) ... Setting up libqt5sql5-sqlite:arm64 (5.15.15+dfsg-2) ... Setting up libxpm4:arm64 (1:3.5.17-1+b2) ... Setting up libsymspg-dev:arm64 (2.5.0-1+b1) ... Setting up qt5-qmake:arm64 (5.15.15+dfsg-2) ... Setting up libzvbi0t64:arm64 (0.2.42-2) ... Setting up nettle-dev:arm64 (3.10-1+b1) ... Setting up libxrender1:arm64 (1:0.9.10-1.1+b2) ... Setting up libproj25:arm64 (9.5.0-1) ... Setting up libice-dev:arm64 (2:1.1.1-1) ... Setting up libkdb5-10t64:arm64 (1.21.3-3) ... Setting up libtirpc3t64:arm64 (1.3.4+ds-1.3+b1) ... Setting up dictionaries-common (1.30.1) ... Setting up voro++-dev (0.5+revert-to-0.4.6+dfsg1-1+b1) ... Setting up libogdi4.1:arm64 (4.1.1+ds-5) ... Setting up python3.13 (3.13.0-2) ... Setting up libblosc-dev:arm64 (1.21.5+ds-1+b2) ... Setting up libfftw3-bin (3.3.10-2) ... Setting up libwacom9:arm64 (2.13.0-1) ... Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10+b1) ... Setting up fontconfig-config (2.15.0-1.1+b1) ... Setting up libjson-c-dev:arm64 (0.18+ds-1) ... Setting up openssh-client (1:9.9p1-3) ... Setting up qdoc-qt5 (5.15.15-2) ... Setting up libgeos-c1t64:arm64 (3.13.0-1) ... Setting up libqt5concurrent5t64:arm64 (5.15.15+dfsg-2) ... Setting up libfyba-dev:arm64 (4.1.1-11+b1) ... Setting up preview-latex-style (13.2-1) ... Setting up libwebpdemux2:arm64 (1.4.0-0.1+b1) ... Setting up libqt5positioning5:arm64 (5.15.15+dfsg-2) ... Setting up libevent-openssl-2.1-7t64:arm64 (2.1.12-stable-10+b1) ... Setting up libqt5network5t64:arm64 (5.15.15+dfsg-2) ... Setting up libcommons-parent-java (56-1) ... Setting up libaec-dev:arm64 (1.1.3-1+b1) ... Setting up libavahi-common3:arm64 (0.8-13+b3) ... Setting up libjbig-dev:arm64 (2.1-6.1+b2) ... Setting up libcommons-logging-java (1.3.0-1) ... Setting up libxext6:arm64 (2:1.3.4-1+b2) ... Setting up libqt5xml5t64:arm64 (5.15.15+dfsg-2) ... Setting up libpq-dev (17.1-1) ... Setting up libnss3:arm64 (2:3.105-2) ... Setting up dbus-daemon (1.14.10-6) ... Setting up libkim-api2:arm64 (2.3.0-1+b2) ... Setting up libqt5test5t64:arm64 (5.15.15+dfsg-2) ... Setting up libkim-api-dev (2.3.0-1+b2) ... Setting up libsuperlu7:arm64 (7.0.0+dfsg1-2) ... Setting up libgeotiff5:arm64 (1.7.3-1+b1) ... Setting up pkgconf:arm64 (1.8.1-4) ... Setting up libxxf86vm1:arm64 (1:1.1.4-1+b3) ... Setting up libinput-bin (1.26.2-1) ... Setting up libtbbbind-2-5:arm64 (2021.12.0-1) ... Setting up liburiparser-dev (0.9.8+dfsg-2) ... Setting up libnl-route-3-200:arm64 (3.7.0-0.3+b1) ... Setting up libxnvctrl0:arm64 (535.171.04-1+b1) ... Setting up libkmldom1t64:arm64 (1.3.0-12+b1) ... Setting up libminizip-dev:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libltdl-dev:arm64 (2.4.7-8) ... Setting up libthai0:arm64 (0.1.29-2+b1) ... Setting up qtbase5-dev-tools (5.15.15+dfsg-2) ... Setting up libvorbisfile3:arm64 (1.3.7-2+b1) ... Setting up libxdmcp-dev:arm64 (1:1.1.2-3+b2) ... Setting up libwebp-dev:arm64 (1.4.0-0.1+b1) ... Setting up libtirpc-dev:arm64 (1.3.4+ds-1.3+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libptexenc1:arm64 (2024.20240313.70630+ds-5) ... Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ... Setting up adwaita-icon-theme (47.0-2) ... update-alternatives: using /usr/share/icons/Adwaita/cursor.theme to provide /usr/share/icons/default/index.theme (x-cursor-theme) in auto mode Setting up libopenjp2-7-dev:arm64 (2.5.0-2+b4) ... Setting up libxfixes3:arm64 (1:6.0.0-2+b2) ... Setting up libqt5qml5:arm64 (5.15.15+dfsg-3) ... Setting up libgeos-dev (3.13.0-1) ... Setting up dbus (1.14.10-6) ... invoke-rc.d: could not determine current runlevel Setting up libopenexr-3-1-30:arm64 (3.1.5-5.1+b3) ... Setting up libxinerama1:arm64 (2:1.1.4-3+b2) ... Setting up opencl-clhpp-headers (3.0~2024.05.08-1) ... Setting up libx265-209:arm64 (3.6-3+b1) ... Setting up libxkbcommon-x11-0:arm64 (1.7.0-1) ... Setting up qtattributionsscanner-qt5 (5.15.15-2) ... Setting up liblapack-dev:arm64 (3.12.0-3+b1) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so to provide /usr/lib/aarch64-linux-gnu/liblapack.so (liblapack.so-aarch64-linux-gnu) in auto mode Setting up libeigen3-dev (3.4.0-4) ... Setting up libxrandr2:arm64 (2:1.5.4-1+b1) ... Setting up pkg-config:arm64 (1.8.1-4) ... Setting up libgav1-1:arm64 (0.19.0-2+b2) ... Setting up libqt5webchannel5:arm64 (5.15.15-2) ... Setting up git (1:2.45.2-1.2) ... Setting up libjs-sphinxdoc (7.4.7-4) ... Setting up ocl-icd-opencl-dev:arm64 (2.3.2-1+b2) ... Setting up libevent-extra-2.1-7t64:arm64 (2.1.12-stable-10+b1) ... Setting up libhdf4-0-alt:arm64 (4.3.0-1+b1) ... Setting up libgvpr2:arm64 (2.42.4-2+b1) ... Setting up libdrm2:arm64 (2.4.123-1) ... Setting up librttopo1:arm64 (1.1.0-3+b2) ... Setting up libnl-3-dev:arm64 (3.7.0-0.3+b1) ... Setting up libfreexl1:arm64 (2.0.0-1+b3) ... Setting up libva-drm2:arm64 (2.22.0-1+b1) ... Setting up cpp-14-aarch64-linux-gnu (14.2.0-8) ... Setting up libvdpau1:arm64 (1.5-3+b1) ... Setting up libwayland-cursor0:arm64 (1.23.0-1+b1) ... Setting up xml-core (0.19) ... Setting up tcl (8.6.14) ... Setting up libnsl2:arm64 (1.3.0-3+b3) ... Setting up libkadm5srv-mit12:arm64 (1.21.3-3) ... Setting up hunspell-en-us (1:2020.12.07-3) ... Setting up libpam-systemd:arm64 (257~rc2-3) ... Setting up cmake (3.31.0-1) ... Setting up libc6-dev:arm64 (2.40-3) ... Setting up libharfbuzz0b:arm64 (10.0.1-1) ... Setting up libarmadillo14 (1:14.0.1+dfsg-2+b1) ... Setting up libxss1:arm64 (1:1.2.3-1+b2) ... Setting up libfontconfig1:arm64 (2.15.0-1.1+b1) ... Setting up libgcc-14-dev:arm64 (14.2.0-8) ... Setting up libqt5sensors5:arm64 (5.15.15-2) ... Setting up libhdf5-103-1t64:arm64 (1.10.10+repack-4) ... Setting up libbluray2:arm64 (1:1.3.4-1+b2) ... Setting up libsuperlu-dev:arm64 (7.0.0+dfsg1-2) ... Setting up libva-x11-2:arm64 (2.22.0-1+b1) ... Setting up libstdc++-14-dev:arm64 (14.2.0-8) ... Setting up libsm6:arm64 (2:1.2.4-1) ... Setting up libogdi-dev (4.1.1+ds-5) ... Setting up libfftw3-dev:arm64 (3.3.10-2) ... Setting up libicu-dev:arm64 (72.1-5+b1) ... Setting up unixodbc-dev:arm64 (2.3.12-1+b3) ... Setting up libopenmpt0t64:arm64 (0.7.9-1) ... Setting up libavahi-client3:arm64 (0.8-13+b3) ... Setting up libclang-cpp19 (1:19.1.3-2) ... Setting up libdrm-amdgpu1:arm64 (2.4.123-1) ... Setting up libspatialite8t64:arm64 (5.1.0-3+b2) ... Setting up libbz2-dev:arm64 (1.0.8-6) ... Setting up libgfortran-14-dev:arm64 (14.2.0-8) ... Setting up libgnutls28-dev:arm64 (3.8.8-2) ... Setting up libinput10:arm64 (1.26.2-1) ... Setting up libhdf5-hl-100t64:arm64 (1.10.10+repack-4) ... Setting up librttopo-dev:arm64 (1.1.0-3+b2) ... Setting up libnghttp2-dev:arm64 (1.64.0-1) ... Setting up libibverbs1:arm64 (52.0-2+b1) ... Setting up fontconfig (2.15.0-1.1+b1) ... Regenerating fonts cache... done. Setting up libavif16:arm64 (1.1.1-1) ... Setting up libnetcdf19t64:arm64 (1:4.9.2-7) ... Setting up libxft2:arm64 (2.3.6-1+b2) ... Setting up libboost1.83-dev:arm64 (1.83.0-3.2+b1) ... Setting up libqt5qmlmodels5:arm64 (5.15.15+dfsg-3) ... Setting up libarpack2-dev:arm64 (3.9.1-1.1+b2) ... Setting up libxcb1-dev:arm64 (1.17.0-2+b1) ... Setting up libpython3.12-stdlib:arm64 (3.12.7-3) ... Setting up openjdk-21-jre-headless:arm64 (21.0.5+11-1) ... update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/java to provide /usr/bin/java (java) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jpackage to provide /usr/bin/jpackage (jpackage) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/keytool to provide /usr/bin/keytool (keytool) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/rmiregistry to provide /usr/bin/rmiregistry (rmiregistry) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/lib/jexec to provide /usr/bin/jexec (jexec) in auto mode Setting up libpcre2-dev:arm64 (10.44-4) ... Setting up libxi6:arm64 (2:1.8.2-1) ... Setting up ibverbs-providers:arm64 (52.0-2+b1) ... Setting up libenchant-2-2:arm64 (2.3.3-2+b3) ... Setting up libdrm-radeon1:arm64 (2.4.123-1) ... Setting up libxtst6:arm64 (2:1.2.3-1.1+b2) ... Setting up libtk8.6:arm64 (8.6.15-1) ... Setting up python3.12 (3.12.7-3) ... Setting up libxcursor1:arm64 (1:1.2.2-1+b1) ... Setting up libpango-1.0-0:arm64 (1.54.0+ds-3) ... Setting up libhdf5-cpp-103-1t64:arm64 (1.10.10+repack-4) ... Setting up libx11-dev:arm64 (2:1.8.10-2) ... Setting up libhdf5-fortran-102t64:arm64 (1.10.10+repack-4) ... Setting up libjxl0.9:arm64 (0.9.2-10+b1) ... Setting up libgstreamer-plugins-base1.0-0:arm64 (1.24.9-1) ... Setting up libtbb12:arm64 (2021.12.0-1) ... Setting up libkmlengine1t64:arm64 (1.3.0-12+b1) ... Setting up xfonts-utils (1:7.7+7) ... Setting up libhwloc-plugins:arm64 (2.11.2-1) ... Setting up libavutil59:arm64 (7:7.1-3) ... Setting up libcairo2:arm64 (1.18.2-2) ... Setting up libqt5qmlworkerscript5:arm64 (5.15.15+dfsg-3) ... Setting up libnuma-dev:arm64 (2.0.18-1+b1) ... Setting up libpython3.12t64:arm64 (3.12.7-3) ... Setting up libnl-route-3-dev:arm64 (3.7.0-0.3+b1) ... Setting up dbus-user-session (1.14.10-6) ... Setting up libswresample5:arm64 (7:7.1-3) ... Setting up cpp-aarch64-linux-gnu (4:14.2.0-1) ... Setting up libswscale8:arm64 (7:7.1-3) ... Setting up libxml2-dev:arm64 (2.12.7+dfsg+really2.9.14-0.2+b1) ... Setting up doxygen (1.9.8+ds-2+b3) ... Setting up libexpat1-dev:arm64 (2.6.4-1) ... Setting up libsqlite3-dev:arm64 (3.46.1-1) ... Setting up libjpeg62-turbo-dev:arm64 (1:2.1.5-3+b1) ... Setting up libxerces-c-dev:arm64 (3.2.4+debian-1.3+b1) ... Setting up uuid-dev:arm64 (2.40.2-11) ... Setting up libatspi2.0-0t64:arm64 (2.54.0-1) ... Setting up libraqm0:arm64 (0.10.1-1+b2) ... Setting up sphinx-common (7.4.7-4) ... Setting up libxt6t64:arm64 (1:1.2.1-1.2+b1) ... Setting up comerr-dev:arm64 (2.1-1.47.1-1+b1) ... Setting up libevent-dev (2.1.12-stable-10+b1) ... Setting up libpmix2t64:arm64 (5.0.3-2+b1) ... Setting up cpp-14 (14.2.0-8) ... Setting up libxext-dev:arm64 (2:1.3.4-1+b2) ... Setting up zlib1g-dev:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up cpp (4:14.2.0-1) ... Setting up libtheora0:arm64 (1.1.1+dfsg.1-17) ... Setting up libpoppler140:arm64 (24.08.0-3) ... Setting up librdmacm1t64:arm64 (52.0-2+b1) ... Setting up libcairo-gobject2:arm64 (1.18.2-2) ... Setting up libhwloc-dev:arm64 (2.11.2-1) ... Setting up libboost-dev:arm64 (1.83.0.2+b2) ... Setting up gcc-14-aarch64-linux-gnu (14.2.0-8) ... Setting up libtbb-dev:arm64 (2021.12.0-1) ... Setting up libkmlconvenience1t64:arm64 (1.3.0-12+b1) ... Setting up libpangoft2-1.0-0:arm64 (1.54.0+ds-3) ... Setting up libhdf5-hl-cpp-100t64:arm64 (1.10.10+repack-4) ... Setting up libxrender-dev:arm64 (1:0.9.10-1.1+b2) ... Setting up libfltk1.3t64:arm64 (1.3.8-6.1+b1) ... Setting up libcups2t64:arm64 (2.4.10-2) ... Setting up tex-gyre (20180621-6) ... Setting up libpmix-dev:arm64 (5.0.3-2+b1) ... Setting up libhsakmt1:arm64 (6.1.2+ds-1) ... Setting up libpangocairo-1.0-0:arm64 (1.54.0+ds-3) ... Setting up libpython3-stdlib:arm64 (3.12.7-1) ... Setting up krb5-multidev:arm64 (1.21.3-3) ... Setting up libpoppler-dev:arm64 (24.08.0-3) ... Setting up libavutil-dev:arm64 (7:7.1-3) ... Setting up libatk-bridge2.0-0t64:arm64 (2.54.0-1) ... Setting up tk8.6 (8.6.15-1) ... Setting up libfabric1:arm64 (1.17.0-3.1) ... Setting up gcc-aarch64-linux-gnu (4:14.2.0-1) ... Setting up libfltk-images1.3t64:arm64 (1.3.8-6.1+b1) ... Setting up mesa-libgallium:arm64 (24.2.7-1) ... Setting up libxmu6:arm64 (2:1.1.3-3+b3) ... Setting up openjdk-21-jdk-headless:arm64 (21.0.5+11-1) ... update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jar to provide /usr/bin/jar (jar) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jarsigner to provide /usr/bin/jarsigner (jarsigner) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/javac to provide /usr/bin/javac (javac) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/javadoc to provide /usr/bin/javadoc (javadoc) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/javap to provide /usr/bin/javap (javap) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jcmd to provide /usr/bin/jcmd (jcmd) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jdb to provide /usr/bin/jdb (jdb) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jdeprscan to provide /usr/bin/jdeprscan (jdeprscan) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jdeps to provide /usr/bin/jdeps (jdeps) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jfr to provide /usr/bin/jfr (jfr) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jimage to provide /usr/bin/jimage (jimage) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jinfo to provide /usr/bin/jinfo (jinfo) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jlink to provide /usr/bin/jlink (jlink) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jmap to provide /usr/bin/jmap (jmap) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jmod to provide /usr/bin/jmod (jmod) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jps to provide /usr/bin/jps (jps) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jrunscript to provide /usr/bin/jrunscript (jrunscript) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jshell to provide /usr/bin/jshell (jshell) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jstack to provide /usr/bin/jstack (jstack) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jstat to provide /usr/bin/jstat (jstat) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jstatd to provide /usr/bin/jstatd (jstatd) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jwebserver to provide /usr/bin/jwebserver (jwebserver) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/serialver to provide /usr/bin/serialver (serialver) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jhsdb to provide /usr/bin/jhsdb (jhsdb) in auto mode Setting up g++-14-aarch64-linux-gnu (14.2.0-8) ... Setting up libkmlregionator1t64:arm64 (1.3.0-12+b1) ... Setting up default-jre-headless (2:1.21-76) ... Setting up libgbm1:arm64 (24.2.7-1) ... Setting up python3.12-venv (3.12.7-3) ... Setting up libswresample-dev:arm64 (7:7.1-3) ... Setting up libsm-dev:arm64 (2:1.2.4-1) ... Setting up libfreexl-dev:arm64 (2.0.0-1+b3) ... Setting up tcl8.6-dev:arm64 (8.6.15+dfsg-2) ... Setting up libpoppler-private-dev:arm64 (24.08.0-3) ... Setting up libgl1-mesa-dri:arm64 (24.2.7-1) ... Setting up libpng-dev:arm64 (1.6.44-2) ... Setting up libjpeg-dev:arm64 (1:2.1.5-3+b1) ... Setting up libhdf5-hl-fortran-100t64:arm64 (1.10.10+repack-4) ... Setting up dconf-service (0.40.0-4+b3) ... Setting up python3 (3.12.7-1) ... Setting up libpython3.12-dev:arm64 (3.12.7-3) ... Setting up libxaw7:arm64 (2:1.0.16-1) ... Setting up python3-zipp (3.21.0-1) ... Setting up libibverbs-dev:arm64 (52.0-2+b1) ... Setting up libxss-dev:arm64 (1:1.2.3-1+b2) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-markupsafe (2.1.5-1+b3) ... Setting up python3-wheel (0.45.0-1) ... Setting up gcc-14 (14.2.0-8) ... Setting up libfreetype-dev:arm64 (2.13.3+dfsg-1) ... Setting up librsvg2-2:arm64 (2.59.1+dfsg-1) ... Setting up libkrb5-dev:arm64 (1.21.3-3) ... Setting up python3-roman (4.2-1) ... Setting up python3-jinja2 (3.1.3-1) ... Setting up libegl-mesa0:arm64 (24.2.7-1) ... Setting up python3-packaging (24.2-1) ... Setting up libtheora-dev:arm64 (1.1.1+dfsg.1-17) ... Setting up default-jdk-headless (2:1.21-76) ... Setting up python3-venv (3.12.7-1) ... Setting up python3-pyproject-hooks (1.2.0-1) ... Setting up python3-enchant (3.2.2-1) ... Setting up python3-certifi (2024.8.30+dfsg-1) ... Setting up libtiff-dev:arm64 (4.5.1+git230720-5) ... Setting up python3-snowballstemmer (2.2.0-4) ... Setting up libxt-dev:arm64 (1:1.2.1-1.2+b1) ... Setting up libpython3.13-dev:arm64 (3.13.0-2) ... Setting up libswscale-dev:arm64 (7:7.1-3) ... Setting up librtmp-dev:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up python3-idna (3.8-2) ... Setting up python3.12-dev (3.12.7-3) ... Setting up libavcodec61:arm64 (7:7.1-3) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up libssh2-1-dev:arm64 (1.11.1-1) ... Setting up python3-toml (0.10.2-1) ... Setting up python3-installer (0.7.0+dfsg1-3) ... Setting up tcl-dev:arm64 (8.6.14) ... Setting up python3-urllib3 (2.0.7-2) ... Setting up libmariadb-dev (1:11.4.3-1) ... Setting up texlive-binaries (2024.20240313.70630+ds-5) ... update-alternatives: using /usr/bin/xdvi-xaw to provide /usr/bin/xdvi.bin (xdvi.bin) in auto mode update-alternatives: using /usr/bin/bibtex.original to provide /usr/bin/bibtex (bibtex) in auto mode Setting up libhsa-runtime64-1:arm64 (6.1.2-2) ... Setting up gfortran-14-aarch64-linux-gnu (14.2.0-8) ... Setting up libegl1:arm64 (1.7.0-1+b2) ... Setting up g++-aarch64-linux-gnu (4:14.2.0-1) ... Setting up gfortran-aarch64-linux-gnu (4:14.2.0-1) ... Setting up g++-14 (14.2.0-8) ... Setting up htmldoc (1.9.18-3) ... Setting up python3-build (1.2.2-1) ... Setting up gfortran-14 (14.2.0-8) ... Setting up tk (8.6.14) ... Setting up texlive-base (2024.20241102-1) ... tl-paper: setting paper size for dvips to a4: /var/lib/texmf/dvips/config/config-paper.ps tl-paper: setting paper size for dvipdfmx to a4: /var/lib/texmf/dvipdfmx/dvipdfmx-paper.cfg tl-paper: setting paper size for xdvi to a4: /var/lib/texmf/xdvi/XDvi-paper tl-paper: setting paper size for pdftex to a4: /var/lib/texmf/tex/generic/tex-ini-files/pdftexconfig.tex Setting up python3-imagesize (1.4.1-1) ... Setting up python3-more-itertools (10.5.0-1) ... Setting up libkml-dev:arm64 (1.3.0-12+b1) ... Setting up libmariadb-dev-compat (1:11.4.3-1) ... Setting up libvulkan-dev:arm64 (1.3.296.0-1) ... Setting up libglx-mesa0:arm64 (24.2.7-1) ... Setting up libpython3-dev:arm64 (3.12.7-1) ... Setting up python3-importlib-metadata (8.5.0-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up libglx0:arm64 (1.7.0-1+b2) ... Setting up dconf-gsettings-backend:arm64 (0.40.0-4+b3) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up libtool (2.4.7-8) ... Setting up libfontconfig-dev:arm64 (2.15.0-1.1+b1) ... Setting up python3-defusedxml (0.7.1-2) ... Setting up python3-charset-normalizer (3.4.0-1+b1) ... Setting up python3.13-dev (3.13.0-2) ... Setting up python3-alabaster (0.7.16-0.1) ... Setting up libavcodec-dev:arm64 (7:7.1-3) ... Setting up python3-typeguard (4.4.1-1) ... Setting up python3-all (3.12.7-1) ... Setting up libavformat61:arm64 (7:7.1-3) ... Setting up gcc (4:14.2.0-1) ... Setting up dh-autoreconf (20) ... Setting up python3-inflect (7.3.1-2) ... Setting up libgl1:arm64 (1.7.0-1+b2) ... Setting up libamdhip64-5 (5.7.1-5) ... Setting up texlive-latex-base (2024.20241102-1) ... Setting up libcurl4-openssl-dev:arm64 (8.11.0-1) ... Setting up libpython3-all-dev:arm64 (3.12.7-1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.12.7-1) ... Setting up texlive-latex-recommended (2024.20241102-1) ... Setting up libhdf5-dev (1.10.10+repack-4) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libproj-dev:arm64 (9.5.0-1) ... Setting up libnetcdf-dev (1:4.9.2-7) ... Setting up libspatialite-dev:arm64 (5.1.0-3+b2) ... Setting up libglew2.2:arm64 (2.2.0-4+b2) ... Setting up texlive-pictures (2024.20241102-1) ... Setting up g++ (4:14.2.0-1) ... update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode Setting up texlive-fonts-recommended (2024.20241102-1) ... Setting up build-essential (12.12) ... Setting up libglx-dev:arm64 (1.7.0-1+b2) ... Setting up libgl-dev:arm64 (1.7.0-1+b2) ... Setting up libgtk-3-common (3.24.43-4) ... Setting up libxft-dev:arm64 (2.3.6-1+b2) ... Setting up python3-pkg-resources (75.2.0-1) ... Setting up default-libmysqlclient-dev:arm64 (1.1.1) ... Setting up python3-all-dev (3.12.7-1) ... Setting up libucx0:arm64 (1.17.0+ds-3) ... Setting up libfontconfig1-dev:arm64 (2.15.0-1.1+b1) ... Setting up python3-setuptools (75.2.0-1) ... Setting up libegl-dev:arm64 (1.7.0-1+b2) ... Setting up python3-babel (2.16.0-1) ... update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up libgeotiff-dev:arm64 (1.7.3-1+b1) ... Setting up latexmk (1:4.85-1) ... Setting up debhelper (13.20) ... Setting up texlive-latex-extra (2024.20241102-1) ... Setting up libavformat-dev:arm64 (7:7.1-3) ... Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up libgl2ps1.4 (1.4.2+dfsg1-2+b1) ... Setting up libarmadillo-dev (1:14.0.1+dfsg-2+b1) ... Setting up python3-pygments (2.18.0+dfsg-1) ... Setting up libqt5gui5t64:arm64 (5.15.15+dfsg-2) ... Setting up python3-chardet (5.2.0+dfsg-1) ... Setting up python3-requests (2.32.3+dfsg-1) ... Setting up libhdf4-alt-dev (4.3.0-1+b1) ... Setting up libglu1-mesa-dev:arm64 (9.0.2-1.1+b2) ... Setting up libopenmpi3t64:arm64 (5.0.5-6) ... Setting up tk8.6-dev:arm64 (8.6.15-1) ... Setting up libpnetcdf0d:arm64 (1.13.0-1+b1) ... Setting up libpnetcdf-dev:arm64 (1.13.0-1+b1) ... Setting up libqt5quick5:arm64 (5.15.15+dfsg-3) ... Setting up openmpi-bin (5.0.5-6) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up dh-python (6.20241024) ... Setting up libqt5quickshapes5:arm64 (5.15.15+dfsg-3) ... Setting up libqt5widgets5t64:arm64 (5.15.15+dfsg-2) ... Setting up pybuild-plugin-pyproject (6.20241024) ... Setting up mpi-default-bin (1.17) ... Setting up python3-mpi4py (4.0.0-9+b1) ... Setting up libgl2ps-dev (1.4.2+dfsg1-2+b1) ... Setting up libqt5help5:arm64 (5.15.15-2) ... Setting up libhdf5-openmpi-103-1t64:arm64 (1.10.10+repack-4) ... Setting up qt5-qmltooling-plugins:arm64 (5.15.15+dfsg-3) ... Setting up libqt5quickwidgets5:arm64 (5.15.15+dfsg-3) ... Setting up libglew-dev:arm64 (2.2.0-4+b2) ... Setting up tk-dev:arm64 (8.6.14) ... Setting up libvtk9.3:arm64 (9.3.0+dfsg1-1+b3) ... Setting up vtk9 (9.3.0+dfsg1-1+b3) ... Setting up libhdf5-openmpi-fortran-102t64:arm64 (1.10.10+repack-4) ... Setting up libhdf5-openmpi-cpp-103-1t64:arm64 (1.10.10+repack-4) ... Setting up libqt5opengl5t64:arm64 (5.15.15+dfsg-2) ... Setting up libqt5quickparticles5:arm64 (5.15.15+dfsg-3) ... Setting up libopenmpi-dev:arm64 (5.0.5-6) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/openmpi/include to provide /usr/include/aarch64-linux-gnu/mpi (mpi-aarch64-linux-gnu) in auto mode update-alternatives: warning: skip creation of /usr/lib/aarch64-linux-gnu/libmpi.so because associated file /usr/lib/aarch64-linux-gnu/openmpi/lib/libmpi.so (of link group mpi-aarch64-linux-gnu) doesn't exist Setting up libqt5printsupport5t64:arm64 (5.15.15+dfsg-2) ... Setting up libqt5quicktest5:arm64 (5.15.15+dfsg-3) ... Setting up libvtk9.3-qt:arm64 (9.3.0+dfsg1-1+b3) ... Setting up libqt5designer5:arm64 (5.15.15-2) ... Setting up qtdeclarative5-dev-tools (5.15.15+dfsg-3) ... Setting up qhelpgenerator-qt5 (5.15.15-2) ... Setting up libhdf5-openmpi-hl-100t64:arm64 (1.10.10+repack-4) ... Setting up libqt5webkit5:arm64 (5.212.0~alpha4-41) ... Setting up libqt5designercomponents5:arm64 (5.15.15-2) ... Setting up libhdf5-openmpi-hl-fortran-100t64:arm64 (1.10.10+repack-4) ... Setting up libvtk9-java (9.3.0+dfsg1-1+b3) ... Setting up qtbase5-dev:arm64 (5.15.15+dfsg-2) ... Setting up qt5-assistant (5.15.15-2) ... Setting up qttools5-dev-tools (5.15.15-2) ... Setting up qtdeclarative5-dev:arm64 (5.15.15+dfsg-3) ... Setting up mpi-default-dev (1.17) ... Setting up libhdf5-openmpi-hl-cpp-100t64:arm64 (1.10.10+repack-4) ... Setting up libhdf5-openmpi-dev (1.10.10+repack-4) ... update-alternatives: using /usr/bin/h5pcc.openmpi to provide /usr/bin/h5pcc (h5pcc) in auto mode update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-openmpi.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode update-alternatives: updating alternative /usr/bin/mpicc.openmpi because link group mpi has changed slave links update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-mpi.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up python3-vtk9 (9.3.0+dfsg1-1+b3) ... /usr/lib/python3/dist-packages/vtkmodules/util/vtkMethodParser.py:304: SyntaxWarning: invalid escape sequence '\S' patn = re.compile (" \S") /usr/lib/python3/dist-packages/vtkmodules/util/vtkMethodParser.py:304: SyntaxWarning: invalid escape sequence '\S' patn = re.compile (" \S") Setting up libqt5opengl5-dev:arm64 (5.15.15+dfsg-2) ... Setting up libqt5webkit5-dev:arm64 (5.212.0~alpha4-41) ... Setting up libhdf5-mpi-dev (1.10.10+repack-4) ... Setting up qttools5-dev:arm64 (5.15.15-2) ... Setting up qttools5-private-dev:arm64 (5.15.15-2) ... Setting up libheif-plugin-dav1d:arm64 (1.19.3-1) ... Setting up libheif-plugin-libde265:arm64 (1.19.3-1) ... Setting up libheif1:arm64 (1.19.3-1) ... Setting up libheif-dev:arm64 (1.19.3-1) ... Setting up libgd3:arm64 (2.3.3-12+b1) ... Setting up libgvc6 (2.42.4-2+b1) ... Setting up libgdal35:arm64 (3.9.3+dfsg-1+b1) ... Setting up graphviz (2.42.4-2+b1) ... Setting up libgdal-dev (3.9.3+dfsg-1+b1) ... Processing triggers for libc-bin (2.40-3) ... Processing triggers for systemd (257~rc2-3) ... Processing triggers for man-db (2.13.0-1) ... Processing triggers for libglib2.0-0t64:arm64 (2.82.2-3) ... Setting up libgtk-3-0t64:arm64 (3.24.43-4) ... Processing triggers for shared-mime-info (2.4-5+b1) ... Setting up openjdk-21-jre:arm64 (21.0.5+11-1) ... Setting up default-jre (2:1.21-76) ... Setting up openjdk-21-jdk:arm64 (21.0.5+11-1) ... update-alternatives: using /usr/lib/jvm/java-21-openjdk-arm64/bin/jconsole to provide /usr/bin/jconsole (jconsole) in auto mode Setting up default-jdk (2:1.21-76) ... Setting up libvtk9-dev:arm64 (9.3.0+dfsg1-1+b3) ... Setting up libvtk9-qt-dev:arm64 (9.3.0+dfsg1-1+b3) ... Processing triggers for sgml-base (1.31) ... Setting up docutils-common (0.21.2+dfsg-2) ... Processing triggers for sgml-base (1.31) ... Setting up python3-docutils (0.21.2+dfsg-2) ... Setting up python3-sphinx (7.4.7-4) ... Setting up python3-sphinxcontrib.spelling (7.7.0-1) ... Setting up python3-breathe (4.35.0-3) ... Setting up python3-sphinxcontrib.jquery (4.1-5) ... Setting up python3-sphinx-tabs (3.4.4-1) ... Setting up sbuild-build-depends-main-dummy (0.invalid.0) ... Processing triggers for libc-bin (2.40-3) ... +------------------------------------------------------------------------------+ | Check architectures | +------------------------------------------------------------------------------+ Arch check ok (arm64 included in any all) +------------------------------------------------------------------------------+ | Build environment | +------------------------------------------------------------------------------+ Kernel: Linux 6.1.0-27-cloud-arm64 #1 SMP Debian 6.1.115-1 (2024-11-01) arm64 (aarch64) Toolchain package versions: binutils_2.43.1-5 dpkg-dev_1.22.12~1.gbp82cafd g++-14_14.2.0-8 gcc-14_14.2.0-8 libc6-dev_2.40-3 libstdc++-14-dev_14.2.0-8 libstdc++6_14.2.0-8 linux-libc-dev_6.11.7-1 Package versions: adduser_3.137 adwaita-icon-theme_47.0-2 appstream_1.0.3-1+b1 apt_2.9.11 at-spi2-common_2.54.0-1 autoconf_2.72-3 automake_1:1.16.5-1.3 autopoint_0.22.5-2 autotools-dev_20220109.1 base-files_13.5 base-passwd_3.6.5 bash_5.2.32-1+b2 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xorg-sgml-doctools_1:1.11-1.1 xtrans-dev_1.4.0-1 xz-utils_5.6.3-1+b1 zlib1g_1:1.3.dfsg+really1.3.1-1+b1 zlib1g-dev_1:1.3.dfsg+really1.3.1-1+b1 +------------------------------------------------------------------------------+ | Build | +------------------------------------------------------------------------------+ Unpack source ------------- -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: lammps Binary: lammps, liblammps-dev, liblammps0t64, python3-lammps, lammps-doc, lammps-data, lammps-examples Architecture: any all Version: 20240207+dfsg-1.1 Maintainer: Debian Science Maintainers Uploaders: Anton Gladky Homepage: https://lammps.sandia.gov/ Standards-Version: 4.6.2 Vcs-Browser: https://salsa.debian.org/science-team/lammps Vcs-Git: https://salsa.debian.org/science-team/lammps.git Testsuite: autopkgtest Testsuite-Triggers: python3 Build-Depends: dpkg-dev (>= 1.22.5), cmake, debhelper-compat (= 13), dh-python, pybuild-plugin-pyproject, gfortran | fortran-compiler, libavcodec-dev, libeigen3-dev, libfftw3-dev, libhdf5-mpi-dev, libjpeg-dev, libkim-api-dev, libnetcdf-dev, libpnetcdf-dev [amd64 arm64 mips64el ppc64el riscv64 s390x ia64 ppc64 sparc64], libsymspg-dev, libvtk9-dev, libvtk9-qt-dev, mpi-default-bin, mpi-default-dev, ocl-icd-opencl-dev | opencl-dev, python3-all-dev, python3-sphinx, voro++-dev Build-Depends-Indep: libjs-sphinxdoc, libjs-jquery, libjs-mathjax, libjs-underscore, texlive-latex-recommended, texlive-fonts-recommended, texlive-latex-extra, tex-gyre, doxygen, sphinx-rtd-theme-common, latexmk, htmldoc, python3-sphinx-tabs, python3-sphinxcontrib.jquery, python3-sphinxcontrib.spelling, python3-breathe, python3-venv, git Package-List: lammps deb science optional arch=any lammps-data deb doc optional arch=all lammps-doc deb doc optional arch=all lammps-examples deb doc optional arch=all liblammps-dev deb science optional arch=any liblammps0t64 deb science optional arch=any python3-lammps deb python optional arch=any 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using patch list from debian/patches/series dpkg-source: info: applying 20_set_potentials_path.patch dpkg-source: info: applying 30_build_docs.patch dpkg-source: info: applying do-not-install-potentials.patch Check disk space ---------------- Sufficient free space for build User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf HOME=/sbuild-nonexistent LANG=en_US.UTF-8 LC_ALL=C.UTF-8 LOGNAME=debusine-worker PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games SHELL=/bin/sh USER=debusine-worker dpkg-buildpackage ----------------- Command: dpkg-buildpackage -us -uc -b -rfakeroot dpkg-buildpackage: info: source package lammps dpkg-buildpackage: info: source version 20240207+dfsg-1.1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Lukas Märdian dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 debian/rules clean dh clean --with python3,sphinxdoc --sourcedirectory=cmake --builddirectory=/<>/debian/build dh_auto_clean -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules execute_after_dh_auto_clean make[1]: Entering directory '/<>' rm -rf /<>/debian/build rm -rf .pybuild rm -rf python/build rm -rf python/lammps.egg-info rm -f python/examples/log.lammps if [ -d doc/html.orig ]; then \ rm -rf doc/html; \ mv doc/html.orig doc/html; \ fi rm -rf doc/docenv doc/doctrees doc/utils/sphinx-config/conf.py rm -rf doc/doxygen/xml doc/doxygen-warn.log doc/doxygen/Doxyfile make[1]: Leaving directory '/<>' dh_autoreconf_clean -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_clean -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules binary dh binary --with python3,sphinxdoc --sourcedirectory=cmake --builddirectory=/<>/debian/build dh_update_autotools_config -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_autoreconf -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_auto_configure make[1]: Entering directory '/<>' dh_auto_configure -- \ -DBUILD_SHARED_LIBS=ON \ -DCMAKE_SKIP_INSTALL_RPATH=TRUE \ -DPKG_ASPHERE=ON \ -DPKG_ATC=ON \ -DPKG_AWPMD=ON \ -DPKG_BOCS=ON \ -DPKG_BODY=ON \ -DPKG_CG-DNA=ON \ -DPKG_CG-SPICA=ON \ -DPKG_CLASS2=ON \ -DPKG_COLLOID=ON \ -DPKG_COMPRESS=ON \ -DPKG_CORESHELL=ON \ -DPKG_EXTRA-PAIR=ON \ -DPKG_DIELECTRIC=ON \ -DPKG_DIFFRACTION=ON \ -DPKG_DIPOLE=ON \ -DPKG_DPD-BASIC=ON \ -DPKG_DRUDE=ON \ -DPKG_EFF=ON \ -DPKG_ELECTRODE=ON \ -DUSE_INTERNAL_LINALG=no \ -DPKG_FEP=ON \ -DPKG_GPU=OFF \ -DPKG_GRANULAR=ON \ -DPKG_H5MD=ON \ -DPKG_KIM=ON \ -DPKG_KSPACE=ON \ -DPKG_LATBOLTZ=ON \ -DPKG_MANIFOLD=ON \ -DPKG_MANYBODY=ON \ -DPKG_MC=ON \ -DPKG_MEAM=ON \ -DPKG_MGPT=ON \ -DPKG_MISC=ON \ -DPKG_MOFFF=ON \ -DPKG_MOLFILE=ON \ -DPKG_MPIIO=ON \ -DPKG_MOLECULE=ON \ -DPKG_NETCDF=ON \ -DPKG_OPENMP==ON \ -DPKG_OPT=ON \ -DPKG_ORIENT=ON \ -DPKG_PERI=ON \ -DPKG_PHONON=ON \ -DPKG_POEMS=ON \ -DPKG_PYTHON=ON \ -DPKG_QEQ=ON \ -DPKG_QTB=ON \ -DPKG_REAXFF=OFF \ -DPKG_REPLICA=ON \ -DPKG_RIGID=ON \ -DPKG_SHOCK=ON \ -DPKG_SMTBQ=ON \ -DPKG_SNAP=ON \ -DPKG_SPH=ON \ -DPKG_SRD=ON \ -DPKG_TALLY=ON \ -DPKG_UEF=ON \ -DPKG_VTK=ON \ -DPKG_VORONOI=ON cd debian/build && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=/usr/bin/pkg-config cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/aarch64-linux-gnu -DBUILD_SHARED_LIBS=ON -DCMAKE_SKIP_INSTALL_RPATH=TRUE -DPKG_ASPHERE=ON -DPKG_ATC=ON -DPKG_AWPMD=ON -DPKG_BOCS=ON -DPKG_BODY=ON -DPKG_CG-DNA=ON -DPKG_CG-SPICA=ON -DPKG_CLASS2=ON -DPKG_COLLOID=ON -DPKG_COMPRESS=ON -DPKG_CORESHELL=ON -DPKG_EXTRA-PAIR=ON -DPKG_DIELECTRIC=ON -DPKG_DIFFRACTION=ON -DPKG_DIPOLE=ON -DPKG_DPD-BASIC=ON -DPKG_DRUDE=ON -DPKG_EFF=ON -DPKG_ELECTRODE=ON -DUSE_INTERNAL_LINALG=no -DPKG_FEP=ON -DPKG_GPU=OFF -DPKG_GRANULAR=ON -DPKG_H5MD=ON -DPKG_KIM=ON -DPKG_KSPACE=ON -DPKG_LATBOLTZ=ON -DPKG_MANIFOLD=ON -DPKG_MANYBODY=ON -DPKG_MC=ON -DPKG_MEAM=ON -DPKG_MGPT=ON -DPKG_MISC=ON -DPKG_MOFFF=ON -DPKG_MOLFILE=ON -DPKG_MPIIO=ON -DPKG_MOLECULE=ON -DPKG_NETCDF=ON -DPKG_OPENMP==ON -DPKG_OPT=ON -DPKG_ORIENT=ON -DPKG_PERI=ON -DPKG_PHONON=ON -DPKG_POEMS=ON -DPKG_PYTHON=ON -DPKG_QEQ=ON -DPKG_QTB=ON -DPKG_REAXFF=OFF -DPKG_REPLICA=ON -DPKG_RIGID=ON -DPKG_SHOCK=ON -DPKG_SMTBQ=ON -DPKG_SNAP=ON -DPKG_SPH=ON -DPKG_SRD=ON -DPKG_TALLY=ON -DPKG_UEF=ON -DPKG_VTK=ON -DPKG_VORONOI=ON ../../cmake -- The CXX compiler identification is GNU 14.2.0 -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Git: /usr/bin/git (found version "2.45.2") -- Running check for auto-generated files from make-based build system -- Found MPI_CXX: /usr/lib/aarch64-linux-gnu/openmpi/lib/libmpi.so (found version "3.1") -- Found MPI: TRUE (found version "3.1") -- Looking for C++ include omp.h -- Looking for C++ include omp.h - found -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: CXX -- The C compiler identification is GNU 14.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/aarch64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- Found LAPACK: /usr/lib/aarch64-linux-gnu/liblapack.so;/usr/lib/aarch64-linux-gnu/libblas.so -- Found JPEG: /usr/lib/aarch64-linux-gnu/libjpeg.so (found version "62") -- Found PNG: /usr/lib/aarch64-linux-gnu/libpng.so (found version "1.6.44") -- Found ZLIB: /usr/lib/aarch64-linux-gnu/libz.so (found version "1.3.1") -- Found GZIP: /usr/bin/gzip -- Could NOT find FFMPEG (missing: FFMPEG_EXECUTABLE) -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") -- Checking for module 'fftw3' -- Found fftw3, version 3.3.10 -- Found FFTW3: /usr/lib/aarch64-linux-gnu/libfftw3.so -- Found Python: /usr/bin/python3 (found version "3.12.7") found components: Interpreter -- Found Python: /usr/bin/python3 (found version "3.12.7") found components: Interpreter Development Development.Module Development.Embed -- Found VORO: /usr/lib/aarch64-linux-gnu/libvoro++.so -- Found NetCDF: /usr/lib/aarch64-linux-gnu/libnetcdf.so -- Found PNetCDF: /usr/lib/aarch64-linux-gnu/libpnetcdf.so -- Found Python3: /usr/bin/python3 (found suitable version "3.12.7", minimum required is "3.12") found components: Interpreter Development.Module Development.Embed -- Found GLEW: /usr/lib/aarch64-linux-gnu/libGLEW.so -- Found OpenGL: /usr/lib/aarch64-linux-gnu/libOpenGL.so found components: OpenGL GLX -- Found MPI_C: /usr/lib/aarch64-linux-gnu/openmpi/lib/libmpi.so (found version "3.1") -- Found MPI: TRUE (found version "3.1") found components: C -- Found HDF5: /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/aarch64-linux-gnu/libcrypto.so;/usr/lib/aarch64-linux-gnu/libcurl.so;/usr/lib/aarch64-linux-gnu/libpthread.a;/usr/lib/aarch64-linux-gnu/libsz.so;/usr/lib/aarch64-linux-gnu/libz.so;/usr/lib/aarch64-linux-gnu/libdl.a;/usr/lib/aarch64-linux-gnu/libm.so (found version "1.10.10") found components: C HL -- Found NetCDF: /usr/include (found version "4.9.2") -- Found OGG: /usr/lib/aarch64-linux-gnu/libogg.so -- Found THEORA: /usr/lib/aarch64-linux-gnu/libtheora.so -- Found LibPROJ: /usr/lib/aarch64-linux-gnu/libproj.so (found version "9.5.0") -- Found JsonCpp: /usr/lib/aarch64-linux-gnu/libjsoncpp.so (found suitable version "1.9.6", minimum required is "0.7.0") -- Found LibXml2: /usr/lib/aarch64-linux-gnu/libxml2.so (found version "2.9.14") -- Found GL2PS: /usr/lib/aarch64-linux-gnu/libgl2ps.so (found suitable version "1.4.2", minimum required is "1.4.2") -- Found SQLite3: /usr/include (found version "3.46.1") -- Found Eigen3: /usr/include/eigen3 (found version "3.4.0") -- Found X11: /usr/include -- Looking for XOpenDisplay in /usr/lib/aarch64-linux-gnu/libX11.so;/usr/lib/aarch64-linux-gnu/libXext.so -- Looking for XOpenDisplay in /usr/lib/aarch64-linux-gnu/libX11.so;/usr/lib/aarch64-linux-gnu/libXext.so - found -- Looking for gethostbyname -- Looking for gethostbyname - found -- Looking for connect -- Looking for connect - found -- Looking for remove -- Looking for remove - found -- Looking for shmat -- Looking for shmat - found -- Looking for IceConnectionNumber in ICE -- Looking for IceConnectionNumber in ICE - found -- Found EXPAT: /usr/lib/aarch64-linux-gnu/libexpat.so (found version "2.6.4") -- Found double-conversion: /usr/lib/aarch64-linux-gnu/libdouble-conversion.so -- Found LZ4: /usr/lib/aarch64-linux-gnu/liblz4.so (found version "1.9.4") -- Found LZMA: /usr/lib/aarch64-linux-gnu/liblzma.so (found version "5.6.3") -- Found TIFF: /usr/lib/aarch64-linux-gnu/libtiff.so (found version "4.5.1") -- Could NOT find freetype (missing: freetype_DIR) -- Found Freetype: /usr/lib/aarch64-linux-gnu/libfreetype.so (found version "2.13.3") -- Found utf8cpp: /usr/include/utf8cpp -- Found CURL: /usr/lib/aarch64-linux-gnu/libcurl.so (found version "8.11.0") -- Found KIM-API: /usr/lib/aarch64-linux-gnu/libkim-api.so.2.3.0 -- Checking for module 'libzstd>=1.4' -- Found libzstd, version 1.5.6 -- Looking for C++ include cmath -- Looking for C++ include cmath - found -- Found HDF5: /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/aarch64-linux-gnu/libcrypto.so;/usr/lib/aarch64-linux-gnu/libcurl.so;/usr/lib/aarch64-linux-gnu/libpthread.a;/usr/lib/aarch64-linux-gnu/libsz.so;/usr/lib/aarch64-linux-gnu/libz.so;/usr/lib/aarch64-linux-gnu/libdl.a;/usr/lib/aarch64-linux-gnu/libm.so (found version "1.10.10") -- Generating style headers... -- Generating package headers... -- Generating lmpinstalledpkgs.h... -- Found Python: /usr/bin/python3 (found version "3.12.7") found components: Interpreter -- Found Python3: /usr/bin/python3 (found version "3.12.7") found components: Interpreter -- Could NOT find ClangFormat (missing: ClangFormat_EXECUTABLE) (Required is at least version "8.0") -- The following tools and libraries have been found and configured: * Git * OpenMP * LAPACK * BLAS * FFTW3 * VORO * PNetCDF * Qt5Core (required version >= 5.15.15) * Qt5Gui (required version >= 5.15.15) * GLEW * OpenGL * MPI * NetCDF * THEORA * OGG * LibPROJ * JsonCpp (required version >= 0.7.0) * LibXml2 * GL2PS (required version >= 1.4.2) * PNG * SQLite3 * Qt5OpenGL * Qt5Widgets * Qt5 (required version >= 5.15) * Eigen3 * X11 * EXPAT * double-conversion * LZ4 * LZMA * JPEG * TIFF * freetype * Freetype * TBB * Threads * utf8cpp * VTK * CURL * KIM-API (required version >= 2.2.0) * ZLIB * HDF5 * Python * Python3 -- <<< Build configuration >>> LAMMPS Version: 20240207 Operating System: Linux Debian CMake Version: 3.31.0 Build type: None Install path: /usr Generator: Unix Makefiles using /usr/bin/gmake -- Enabled packages: ASPHERE;ATC;AWPMD;BOCS;BODY;CG-DNA;CG-SPICA;CLASS2;COLLOID;COMPRESS;CORESHELL;DIELECTRIC;DIFFRACTION;DIPOLE;DPD-BASIC;DRUDE;EFF;ELECTRODE;EXTRA-PAIR;FEP;GRANULAR;H5MD;KIM;KSPACE;LATBOLTZ;MANIFOLD;MANYBODY;MC;MEAM;MGPT;MISC;MOFFF;MOLECULE;MOLFILE;NETCDF;OPENMP;OPT;ORIENT;PERI;PHONON;POEMS;PYTHON;QEQ;QTB;REPLICA;RIGID;SHOCK;SMTBQ;SPH;SRD;TALLY;UEF;VORONOI;VTK -- <<< Compilers and Flags: >>> -- C++ Compiler: /usr/bin/c++ Type: GNU Version: 14.2.0 C++ Flags: -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 Defines: LAMMPS_SMALLBIG;LAMMPS_MEMALIGN=64;LAMMPS_OMP_COMPAT=4;LAMMPS_JPEG;LAMMPS_PNG;LAMMPS_GZIP;FFT_FFTW3;FFT_FFTW_THREADS;LMP_PYTHON;LMP_HAS_NETCDF;LMP_HAS_PNETCDF;NC_64BIT_DATA=0x0020;LAMMPS_VTK;LMP_KIM_CURL;LAMMPS_ZSTD;LMP_OPENMP -- C compiler: /usr/bin/cc Type: GNU Version: 14.2.0 C Flags: -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -- <<< Linker flags: >>> -- Executable name: lmp -- Executable linker flags: -Wl,-z,relro -- Shared library flags: -Wl,-z,relro -- <<< MPI flags >>> -- MPI_defines: MPICH_SKIP_MPICXX;OMPI_SKIP_MPICXX;_MPICC_H -- MPI includes: /usr/lib/aarch64-linux-gnu/openmpi/include;/usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -- MPI libraries: /usr/lib/aarch64-linux-gnu/openmpi/lib/libmpi.so; -- <<< FFT settings >>> -- Primary FFT lib: FFTW3 -- Using double precision FFTs -- Using threaded FFTs -- Using builtin distributed FFT algorithms -- Configuring done (12.5s) -- Generating done (0.2s) -- Build files have been written to: /<>/debian/build make[1]: Leaving directory '/<>' dh_auto_build -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build cd debian/build && make -j4 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/<>/debian/build' /usr/bin/cmake -P /<>/debian/build/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/<>/cmake -B/<>/debian/build --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /<>/debian/build/CMakeFiles /<>/debian/build//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/<>/debian/build' make -f CMakeFiles/fmt_format.h.dir/build.make CMakeFiles/fmt_format.h.dir/depend make -f CMakeFiles/poems.dir/build.make CMakeFiles/poems.dir/depend make -f CMakeFiles/atc.dir/build.make CMakeFiles/atc.dir/depend make -f CMakeFiles/awpmd.dir/build.make CMakeFiles/awpmd.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/fmt_format.h.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/awpmd.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/poems.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/atc.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/fmt_format.h.dir/build.make CMakeFiles/fmt_format.h.dir/build make[3]: Entering directory '/<>/debian/build' make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/poems.dir/build.make CMakeFiles/poems.dir/build make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/awpmd.dir/build.make CMakeFiles/awpmd.dir/build make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/atc.dir/build.make CMakeFiles/atc.dir/build make[3]: Entering directory '/<>/debian/build' make[3]: Entering directory '/<>/debian/build' make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/fmt/format.h /usr/bin/cmake -E copy_if_different /<>/src/fmt/format.h /<>/debian/build/includes/lammps/fmt/format.h [ 0%] Building CXX object CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o /usr/bin/c++ -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o -MF CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o.d -o CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o -c /<>/lib/awpmd/ivutils/src/logexc.cpp [ 0%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o -c /<>/lib/poems/body.cpp [ 0%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o -c /<>/lib/atc/ATC_Coupling.cpp make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target fmt_format.h make -f CMakeFiles/h5md.dir/build.make CMakeFiles/h5md.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/h5md.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/h5md.dir/build.make CMakeFiles/h5md.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Building C object CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o /usr/bin/cc -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -MD -MT CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o -MF CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o.d -o CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o -c /<>/lib/h5md/src/ch5md.c [ 0%] Linking C static library liblammps_h5md.a /usr/bin/cmake -P CMakeFiles/h5md.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/h5md.dir/link.txt --verbose=1 /usr/bin/ar qc liblammps_h5md.a "CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o" /usr/bin/ranlib liblammps_h5md.a make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target h5md make -f CMakeFiles/gitversion.dir/build.make CMakeFiles/gitversion.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/gitversion.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/gitversion.dir/build.make CMakeFiles/gitversion.dir/build [ 0%] Building CXX object CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o make[3]: Entering directory '/<>/debian/build' /usr/bin/cmake -DLAMMPS_DIR="/<>" -DGIT_EXECUTABLE="/usr/bin/git" -DGIT_FOUND="TRUE" -DLAMMPS_STYLE_HEADERS_DIR="/<>/debian/build/styles" -P /<>/cmake/Modules/generate_lmpgitversion.cmake /usr/bin/c++ -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o -MF CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o.d -o CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o -c /<>/lib/awpmd/systems/interact/TCP/wpmd.cpp -- Git Directory: /<>/.git -- Generating lmpgitversion.h... make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target gitversion make -f CMakeFiles/angle.h.dir/build.make CMakeFiles/angle.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/angle.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/angle.h.dir/build.make CMakeFiles/angle.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/angle.h /usr/bin/cmake -E copy_if_different /<>/src/angle.h /<>/debian/build/includes/lammps/angle.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target angle.h make -f CMakeFiles/atom.h.dir/build.make 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/<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 2%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/mixedjoint.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/mixedjoint.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/mixedjoint.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/mixedjoint.cpp.o -c /<>/lib/poems/mixedjoint.cpp [ 2%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/norm.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/norm.cpp.o -MF 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CMakeFiles/poems.dir/<>/lib/poems/sphericaljoint.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/sphericaljoint.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/sphericaljoint.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/sphericaljoint.cpp.o -c /<>/lib/poems/sphericaljoint.cpp [ 6%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/system.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/system.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/system.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/system.cpp.o -c /<>/lib/poems/system.cpp [ 6%] Building CXX object 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/usr/bin/c++ -I/<>/lib/poems -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/vect6.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/vect6.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/vect6.cpp.o -c /<>/lib/poems/vect6.cpp [ 7%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/virtualcolmatrix.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/virtualcolmatrix.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/virtualcolmatrix.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/virtualcolmatrix.cpp.o -c /<>/lib/poems/virtualcolmatrix.cpp [ 7%] Building CXX object 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'/<>/debian/build' make -f CMakeFiles/utils.h.dir/build.make CMakeFiles/utils.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 7%] Generating includes/lammps/utils.h /usr/bin/cmake -E copy_if_different /<>/src/utils.h /<>/debian/build/includes/lammps/utils.h make[3]: Leaving directory '/<>/debian/build' [ 7%] Built target utils.h make -f CMakeFiles/variable.h.dir/build.make CMakeFiles/variable.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/variable.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/variable.h.dir/build.make CMakeFiles/variable.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 8%] Generating includes/lammps/variable.h /usr/bin/cmake -E copy_if_different /<>/src/variable.h /<>/debian/build/includes/lammps/variable.h make[3]: Leaving directory '/<>/debian/build' [ 8%] Built target variable.h make -f CMakeFiles/fmt_core.h.dir/build.make CMakeFiles/fmt_core.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/fmt_core.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/fmt_core.h.dir/build.make CMakeFiles/fmt_core.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 8%] Generating includes/lammps/fmt/core.h /usr/bin/cmake -E copy_if_different /<>/src/fmt/core.h /<>/debian/build/includes/lammps/fmt/core.h make[3]: Leaving directory '/<>/debian/build' [ 8%] Built target fmt_core.h [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingEnergy.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingEnergy.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingEnergy.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingEnergy.cpp.o -c /<>/lib/atc/ATC_CouplingEnergy.cpp [ 8%] Linking CXX static library liblammps_poems.a /usr/bin/cmake -P CMakeFiles/poems.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/poems.dir/link.txt --verbose=1 /usr/bin/ar qc liblammps_poems.a "CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/body23joint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/colmatmap.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/colmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/eulerparameters.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/fastmatrixops.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/fixedpoint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/freebodyjoint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/inertialframe.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/joint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/mat3x3.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/mat4x4.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/mat6x6.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/matrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/matrixfun.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/mixedjoint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/norm.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/onbody.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/onfunctions.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/onsolver.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/particle.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/poemsobject.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/poemstreenode.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/point.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/prismaticjoint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/revolutejoint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/rigidbody.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/rowmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/solver.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/sphericaljoint.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/system.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/vect3.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/vect4.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/vect6.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/virtualcolmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/virtualmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/virtualrowmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/workspace.cpp.o" /usr/bin/ranlib liblammps_poems.a make[3]: Leaving directory '/<>/debian/build' [ 8%] Built target poems [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMass.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMass.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMass.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMass.cpp.o -c /<>/lib/atc/ATC_CouplingMass.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Coupling.h:10, from /<>/lib/atc/ATC_CouplingEnergy.h:5, from /<>/lib/atc/ATC_CouplingEnergy.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentum.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentum.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentum.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentum.cpp.o -c /<>/lib/atc/ATC_CouplingMomentum.cpp [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentumEnergy.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentumEnergy.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentumEnergy.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_CouplingMomentumEnergy.cpp.o -c /<>/lib/atc/ATC_CouplingMomentumEnergy.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Coupling.h:10, from /<>/lib/atc/ATC_CouplingMomentum.h:7, from /<>/lib/atc/ATC_CouplingMomentum.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 8%] Linking CXX static library liblammps_awpmd.a /usr/bin/cmake -P CMakeFiles/awpmd.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/awpmd.dir/link.txt --verbose=1 /usr/bin/ar qc liblammps_awpmd.a "CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o" "CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o" "CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd_split.cpp.o" /usr/bin/ranlib liblammps_awpmd.a make[3]: Leaving directory '/<>/debian/build' [ 8%] Built target awpmd [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o -c /<>/lib/atc/ATC_Method.cpp [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_Transfer.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_Transfer.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_Transfer.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_Transfer.cpp.o -c /<>/lib/atc/ATC_Transfer.cpp [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferKernel.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferKernel.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferKernel.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferKernel.cpp.o -c /<>/lib/atc/ATC_TransferKernel.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Coupling.h:10, from /<>/lib/atc/ATC_CouplingMomentumEnergy.h:5, from /<>/lib/atc/ATC_CouplingMomentumEnergy.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Transfer.h:6, from /<>/lib/atc/ATC_Transfer.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferPartitionOfUnity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferPartitionOfUnity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferPartitionOfUnity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferPartitionOfUnity.cpp.o -c /<>/lib/atc/ATC_TransferPartitionOfUnity.cpp [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o -c /<>/lib/atc/AtomToMoleculeTransfer.cpp [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o -c /<>/lib/atc/AtomicRegulator.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o -c /<>/lib/atc/BodyForce.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o -c /<>/lib/atc/CBLattice.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o -c /<>/lib/atc/CauchyBorn.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/AtomicRegulator.h:6, from /<>/lib/atc/AtomicRegulator.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/CBLattice.h:7, from /<>/lib/atc/CBLattice.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o -c /<>/lib/atc/CbPotential.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o -c /<>/lib/atc/ChargeRegulator.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/CauchyBorn.h:4, from /<>/lib/atc/CauchyBorn.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o -c /<>/lib/atc/ConcentrationRegulator.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o -c /<>/lib/atc/ElasticTimeIntegrator.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o -c /<>/lib/atc/ElectronChargeDensity.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o -c /<>/lib/atc/ElectronDragPower.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o -c /<>/lib/atc/ElectronFlux.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ElectronFlux.h:6, from /<>/lib/atc/ElectronFlux.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o -c /<>/lib/atc/ElectronHeatCapacity.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o -c /<>/lib/atc/ElectronHeatFlux.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o -c /<>/lib/atc/ElectronPhononExchange.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o -c /<>/lib/atc/ExtrinsicModel.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o -c /<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o -c /<>/lib/atc/ExtrinsicModelElectrostatic.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o -c /<>/lib/atc/ExtrinsicModelTwoTemperature.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o -c /<>/lib/atc/FE_Element.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ExtrinsicModel.h:8, from /<>/lib/atc/ExtrinsicModelTwoTemperature.h:6, from /<>/lib/atc/ExtrinsicModelDriftDiffusion.h:8, from /<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ExtrinsicModel.h:8, from /<>/lib/atc/ExtrinsicModelTwoTemperature.h:6, from /<>/lib/atc/ExtrinsicModelTwoTemperature.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FE_Mesh.h:6, from /<>/lib/atc/FE_Element.cpp:3: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ExtrinsicModel.h:8, from /<>/lib/atc/ExtrinsicModelElectrostatic.h:7, from /<>/lib/atc/ExtrinsicModelElectrostatic.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o -c /<>/lib/atc/FE_Engine.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o -c /<>/lib/atc/FE_Interpolate.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FE_Element.h:8, from /<>/lib/atc/FE_Interpolate.cpp:3: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o -c /<>/lib/atc/FE_Mesh.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/FE_Engine.h:9, from /<>/lib/atc/FE_Engine.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o -c /<>/lib/atc/FieldEulerIntegrator.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FE_Element.h:8, from /<>/lib/atc/FE_Mesh.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FieldEulerIntegrator.h:6, from /<>/lib/atc/FieldEulerIntegrator.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o -c /<>/lib/atc/FieldManager.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o -c /<>/lib/atc/Function.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o -c /<>/lib/atc/FundamentalAtomicQuantity.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o -c /<>/lib/atc/GhostManager.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o -c /<>/lib/atc/ImplicitSolveOperator.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o -c /<>/lib/atc/InterscaleOperators.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o -c /<>/lib/atc/KD_Tree.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ImplicitSolveOperator.h:6, from /<>/lib/atc/ImplicitSolveOperator.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o -c /<>/lib/atc/KernelFunction.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o -c /<>/lib/atc/KinetoThermostat.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o -c /<>/lib/atc/Kinetostat.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o -c /<>/lib/atc/LammpsInterface.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/LammpsInterface.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/AtomicRegulator.h:6, from /<>/lib/atc/KinetoThermostat.h:4, from /<>/lib/atc/KinetoThermostat.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o -c /<>/lib/atc/LinearSolver.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o -c /<>/lib/atc/MPI_Wrappers.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o -c /<>/lib/atc/Material.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o -c /<>/lib/atc/Matrix.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o -c /<>/lib/atc/MeshReader.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/Material.h:7, from /<>/lib/atc/Material.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o -c /<>/lib/atc/MoleculeSet.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o -c /<>/lib/atc/NonLinearSolver.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o -c /<>/lib/atc/OutputManager.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o -c /<>/lib/atc/PaqAtcUtility.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o -c /<>/lib/atc/ParDiagonalMatrix.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o -c /<>/lib/atc/ParSparseMatrix.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o -c /<>/lib/atc/PerAtomQuantityLibrary.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o -c /<>/lib/atc/PerPairQuantity.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o -c /<>/lib/atc/PhysicsModel.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o -c /<>/lib/atc/PoissonSolver.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/PerAtomQuantity.h:7, from /<>/lib/atc/PerAtomQuantityLibrary.h:6, from /<>/lib/atc/PerAtomQuantityLibrary.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/PhysicsModel.h:8, from /<>/lib/atc/PhysicsModel.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LinearSolver.h:5, from /<>/lib/atc/PoissonSolver.h:6, from /<>/lib/atc/PoissonSolver.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o -c /<>/lib/atc/PolynomialSolver.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o -c /<>/lib/atc/PrescribedDataManager.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o -c /<>/lib/atc/Quadrature.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o -c /<>/lib/atc/SchrodingerSolver.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o -c /<>/lib/atc/SpeciesTimeIntegrator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o -c /<>/lib/atc/Stress.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o -c /<>/lib/atc/ThermalTimeIntegrator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o -c /<>/lib/atc/Thermostat.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/Stress.h:8, from /<>/lib/atc/Stress.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o -c /<>/lib/atc/TimeFilter.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/AtomicRegulator.h:6, from /<>/lib/atc/Thermostat.h:4, from /<>/lib/atc/Thermostat.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o -c /<>/lib/atc/TimeIntegrator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o -c /<>/lib/atc/TransferLibrary.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o -c /<>/lib/atc/TransferOperator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o -c /<>/lib/atc/Vector.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o -c /<>/lib/atc/ViscousStress.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/PerAtomQuantity.h:7, from /<>/lib/atc/PerAtomQuantityLibrary.h:6, from /<>/lib/atc/TransferOperator.h:6, from /<>/lib/atc/TransferOperator.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ViscousStress.h:8, from /<>/lib/atc/ViscousStress.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/PerAtomQuantity.h:7, from /<>/lib/atc/PerAtomQuantityLibrary.h:6, from /<>/lib/atc/TransferOperator.h:6, from /<>/lib/atc/TransferLibrary.h:11, from /<>/lib/atc/TransferLibrary.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o -c /<>/lib/atc/WeakEquationChargeDiffusion.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o -c /<>/lib/atc/WeakEquationDiffusion.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o -c /<>/lib/atc/WeakEquationElectronContinuity.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o -c /<>/lib/atc/WeakEquationElectronMomentum.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronTemperature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronTemperature.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronTemperature.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronTemperature.cpp.o -c /<>/lib/atc/WeakEquationElectronTemperature.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMassDiffusion.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMassDiffusion.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMassDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMassDiffusion.cpp.o -c /<>/lib/atc/WeakEquationMassDiffusion.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/WeakEquation.h:7, from /<>/lib/atc/WeakEquationElectronMomentum.h:7, from /<>/lib/atc/WeakEquationElectronMomentum.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘T& ATC_matrix::CloneVector::operator[](ATC_matrix::INDEX) [with T = double]’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o -c /<>/lib/atc/WeakEquationMomentum.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationPhononTemperature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationPhononTemperature.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationPhononTemperature.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationPhononTemperature.cpp.o -c /<>/lib/atc/WeakEquationPhononTemperature.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationPoisson.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC 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-I/<>/src/GRANULAR -I/<>/src/H5MD -I/<>/src/KIM -I/<>/src/KSPACE -I/<>/src/LATBOLTZ -I/<>/src/MANIFOLD -I/<>/src/MANYBODY -I/<>/src/MC -I/<>/src/MEAM -I/<>/src/MGPT -I/<>/src/MISC -I/<>/src/MOFFF -I/<>/src/MOLECULE -I/<>/src/MOLFILE -I/<>/src/NETCDF -I/<>/src/ORIENT -I/<>/src/PERI -I/<>/src/PHONON -I/<>/src/POEMS -I/<>/src/PYTHON -I/<>/src/QEQ -I/<>/src/QTB -I/<>/src/REPLICA -I/<>/src/RIGID -I/<>/src/SHOCK -I/<>/src/SMTBQ -I/<>/src/SPH -I/<>/src/SRD -I/<>/src/TALLY -I/<>/src/UEF -I/<>/src/VORONOI -I/<>/src/VTK -I/<>/src/CORESHELL -I/<>/src/OPENMP -I/<>/src/OPT -I/<>/debian/build/styles -I/<>/lib/molfile -I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.3 -isystem /usr/lib/aarch64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MEAM/pair_meam_ms.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MEAM/pair_meam_ms.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MEAM/pair_meam_ms.cpp.o -c /<>/src/MEAM/pair_meam_ms.cpp [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC -I/<>/src/AWPMD -I/<>/src/BOCS -I/<>/src/BODY -I/<>/src/CG-DNA -I/<>/src/CG-SPICA -I/<>/src/CLASS2 -I/<>/src/COLLOID -I/<>/src/COMPRESS -I/<>/src/DIELECTRIC -I/<>/src/DIFFRACTION -I/<>/src/DIPOLE -I/<>/src/DPD-BASIC -I/<>/src/DRUDE -I/<>/src/EFF -I/<>/src/ELECTRODE -I/<>/src/EXTRA-PAIR -I/<>/src/FEP -I/<>/src/GRANULAR -I/<>/src/H5MD -I/<>/src/KIM -I/<>/src/KSPACE -I/<>/src/LATBOLTZ -I/<>/src/MANIFOLD -I/<>/src/MANYBODY -I/<>/src/MC -I/<>/src/MEAM -I/<>/src/MGPT -I/<>/src/MISC -I/<>/src/MOFFF -I/<>/src/MOLECULE -I/<>/src/MOLFILE -I/<>/src/NETCDF -I/<>/src/ORIENT -I/<>/src/PERI -I/<>/src/PHONON -I/<>/src/POEMS -I/<>/src/PYTHON -I/<>/src/QEQ -I/<>/src/QTB -I/<>/src/REPLICA -I/<>/src/RIGID -I/<>/src/SHOCK -I/<>/src/SMTBQ -I/<>/src/SPH -I/<>/src/SRD -I/<>/src/TALLY -I/<>/src/UEF -I/<>/src/VORONOI -I/<>/src/VTK -I/<>/src/CORESHELL -I/<>/src/OPENMP -I/<>/src/OPT -I/<>/debian/build/styles -I/<>/lib/molfile -I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.3 -isystem /usr/lib/aarch64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o -c /<>/src/MGPT/mgpt_linalg.cpp [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC -I/<>/src/AWPMD -I/<>/src/BOCS -I/<>/src/BODY -I/<>/src/CG-DNA -I/<>/src/CG-SPICA -I/<>/src/CLASS2 -I/<>/src/COLLOID -I/<>/src/COMPRESS -I/<>/src/DIELECTRIC -I/<>/src/DIFFRACTION -I/<>/src/DIPOLE -I/<>/src/DPD-BASIC -I/<>/src/DRUDE -I/<>/src/EFF -I/<>/src/ELECTRODE -I/<>/src/EXTRA-PAIR -I/<>/src/FEP -I/<>/src/GRANULAR -I/<>/src/H5MD -I/<>/src/KIM -I/<>/src/KSPACE -I/<>/src/LATBOLTZ -I/<>/src/MANIFOLD -I/<>/src/MANYBODY -I/<>/src/MC -I/<>/src/MEAM -I/<>/src/MGPT -I/<>/src/MISC -I/<>/src/MOFFF -I/<>/src/MOLECULE -I/<>/src/MOLFILE -I/<>/src/NETCDF -I/<>/src/ORIENT -I/<>/src/PERI -I/<>/src/PHONON -I/<>/src/POEMS -I/<>/src/PYTHON -I/<>/src/QEQ -I/<>/src/QTB -I/<>/src/REPLICA -I/<>/src/RIGID -I/<>/src/SHOCK -I/<>/src/SMTBQ -I/<>/src/SPH -I/<>/src/SRD -I/<>/src/TALLY -I/<>/src/UEF -I/<>/src/VORONOI -I/<>/src/VTK -I/<>/src/CORESHELL -I/<>/src/OPENMP -I/<>/src/OPT -I/<>/debian/build/styles -I/<>/lib/molfile -I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.3 -isystem /usr/lib/aarch64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o -c /<>/src/MGPT/mgpt_readpot.cpp /<>/src/MGPT/mgpt_readpot.cpp: In member function ‘void potdata::readpot(const char*, const char*, double)’: /<>/src/MGPT/mgpt_readpot.cpp:188:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 188 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:204:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 204 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:247:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 247 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:307:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 307 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:330:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 330 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:332:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 332 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:335:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 335 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:344:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 344 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:346:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 346 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:359:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 359 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp: In function ‘void getparmindata(const char*, int*, double*, double*, double*)’: /<>/src/MGPT/mgpt_readpot.cpp:110:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 110 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:120:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 120 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:124:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 124 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC -I/<>/src/AWPMD -I/<>/src/BOCS -I/<>/src/BODY -I/<>/src/CG-DNA -I/<>/src/CG-SPICA -I/<>/src/CLASS2 -I/<>/src/COLLOID -I/<>/src/COMPRESS -I/<>/src/DIELECTRIC -I/<>/src/DIFFRACTION -I/<>/src/DIPOLE -I/<>/src/DPD-BASIC -I/<>/src/DRUDE -I/<>/src/EFF -I/<>/src/ELECTRODE -I/<>/src/EXTRA-PAIR -I/<>/src/FEP -I/<>/src/GRANULAR -I/<>/src/H5MD -I/<>/src/KIM -I/<>/src/KSPACE -I/<>/src/LATBOLTZ -I/<>/src/MANIFOLD -I/<>/src/MANYBODY -I/<>/src/MC -I/<>/src/MEAM -I/<>/src/MGPT -I/<>/src/MISC -I/<>/src/MOFFF -I/<>/src/MOLECULE -I/<>/src/MOLFILE -I/<>/src/NETCDF -I/<>/src/ORIENT -I/<>/src/PERI -I/<>/src/PHONON -I/<>/src/POEMS -I/<>/src/PYTHON -I/<>/src/QEQ -I/<>/src/QTB -I/<>/src/REPLICA -I/<>/src/RIGID -I/<>/src/SHOCK -I/<>/src/SMTBQ -I/<>/src/SPH -I/<>/src/SRD -I/<>/src/TALLY -I/<>/src/UEF -I/<>/src/VORONOI -I/<>/src/VTK -I/<>/src/CORESHELL -I/<>/src/OPENMP -I/<>/src/OPT -I/<>/debian/build/styles -I/<>/lib/molfile -I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.3 -isystem /usr/lib/aarch64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -ffile-prefix-map=/<>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o -c /<>/src/MGPT/mgpt_splinetab.cpp [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/pair_mgpt.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC 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Reading /<>/src/atom.h... Parsing file /<>/src/atom.h... Reading /<>/src/input.cpp... Parsing file /<>/src/input.cpp... Reading /<>/src/input.h... Parsing file /<>/src/input.h... Reading /<>/src/tokenizer.cpp... Parsing file /<>/src/tokenizer.cpp... Reading /<>/src/tokenizer.h... Parsing file /<>/src/tokenizer.h... Reading /<>/src/arg_info.cpp... Parsing file /<>/src/arg_info.cpp... Reading /<>/src/arg_info.h... Parsing file /<>/src/arg_info.h... Reading /<>/src/text_file_reader.cpp... Parsing file /<>/src/text_file_reader.cpp... Reading /<>/src/text_file_reader.h... Parsing file /<>/src/text_file_reader.h... Reading /<>/src/potential_file_reader.cpp... Parsing file /<>/src/potential_file_reader.cpp... Reading /<>/src/potential_file_reader.h... Parsing file /<>/src/potential_file_reader.h... Reading /<>/src/my_page.cpp... Parsing file /<>/src/my_page.cpp... Reading /<>/src/my_page.h... Parsing file /<>/src/my_page.h... Reading /<>/src/my_pool_chunk.cpp... Parsing file /<>/src/my_pool_chunk.cpp... Reading /<>/src/my_pool_chunk.h... Parsing file /<>/src/my_pool_chunk.h... Reading /<>/src/math_eigen.h... Parsing file /<>/src/math_eigen.h... Reading /<>/src/platform.h... Parsing file /<>/src/platform.h... Reading /<>/src/platform.cpp... Parsing file /<>/src/platform.cpp... Reading /<>/src/math_special.h... Parsing file /<>/src/math_special.h... Reading /<>/src/math_special.cpp... Parsing file /<>/src/math_special.cpp... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating example documentation... Generating file sources... Generating code for file arg_info.h... Generating code for file atom.h... Generating code for file input.h... Generating code for file lammps.h... Generating code for file library.h... Generating code for file lmptype.h... Generating code for file math_eigen.h... Generating code for file math_special.h... Generating code for file my_page.h... Generating code for file my_pool_chunk.h... Generating code for file platform.h... Generating code for file pointers.h... Generating code for file potential_file_reader.h... Generating code for file text_file_reader.h... Generating code for file tokenizer.h... Generating code for file utils.h... Generating file documentation... Generating page documentation... Generating group documentation... Generating class documentation... Generating docs for compound compress_info... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating docs for compound LAMMPS_NS::Atom... Generating docs for compound LAMMPS_NS::Input... Generating docs for compound LAMMPS_NS::InvalidFloatException... Generating docs for compound LAMMPS_NS::InvalidIntegerException... Generating docs for compound LAMMPS_NS::LAMMPS... Generating docs for compound LAMMPS_NS::multitype... Generating docs for compound LAMMPS_NS::MyPage... Generating docs for compound LAMMPS_NS::MyPoolChunk... Generating docs for compound LAMMPS_NS::Pointers... Generating docs for compound LAMMPS_NS::TokenizerException... Generating docs for compound LAMMPS_NS::ubuf... Generating graph info page... Generating directory documentation... finalizing index lists... writing tag file... Generating XML output... Generating XML output for class LAMMPS_NS::ArgInfo Generating XML output for class LAMMPS_NS::Atom Generating XML output for class compress_info Generating XML output for class LAMMPS_NS::EOFException Generating XML output for class LAMMPS_NS::FileReaderException Generating XML output for class LAMMPS_NS::Atom::HashElem Generating XML output for class LAMMPS_NS::HyperOneCoeff Generating XML output for class LAMMPS_NS::Input Generating XML output for class LAMMPS_NS::InvalidFloatException Generating XML output for class LAMMPS_NS::InvalidIntegerException Generating XML output for class LAMMPS_NS::LAMMPS Generating XML output for class LAMMPS_NS::multitype Generating XML output for class LAMMPS_NS::MyPage Generating XML output for class LAMMPS_NS::MyPoolChunk Generating XML output for class LAMMPS_NS::package_styles_lists Generating XML output for class LAMMPS_NS::Atom::PerAtom Generating XML output for class LAMMPS_NS::Pointers Generating XML output for class LAMMPS_NS::PotentialFileReader Generating XML output for class regex_context_t Generating XML output for class regex_t Generating XML output for class LAMMPS_NS::TextFileReader Generating XML output for class LAMMPS_NS::Tokenizer Generating XML output for class LAMMPS_NS::TokenizerException Generating XML output for class LAMMPS_NS::ubuf Generating XML output for class udi_t Generating XML output for class LAMMPS_NS::ValueTokenizer Generating XML output for namespace LAMMPS_NS Generating XML output for namespace LAMMPS_NS::MathSpecial Generating XML output for namespace LAMMPS_NS::platform Generating XML output for namespace LAMMPS_NS::utils Generating XML output for namespace MathConst Generating XML output for namespace MathEigen Generating XML output for namespace std Generating XML output for file arg_info.cpp Generating XML output for file arg_info.h Generating XML output for file atom.cpp Generating XML output for file atom.h Generating XML output for file input.cpp Generating XML output for file input.h Generating XML output for file lammps.cpp Generating XML output for file lammps.h Generating XML output for file library.cpp Generating XML output for file library.h Generating XML output for file lmptype.h Generating XML output for file math_eigen.h Generating XML output for file math_special.cpp Generating XML output for file math_special.h Generating XML output for file my_page.cpp Generating XML output for file my_page.h Generating XML output for file my_pool_chunk.cpp Generating XML output for file my_pool_chunk.h Generating XML output for file platform.cpp Generating XML output for file platform.h Generating XML output for file pointers.h Generating XML output for file potential_file_reader.cpp Generating XML output for file potential_file_reader.h Generating XML output for file text_file_reader.cpp Generating XML output for file text_file_reader.h Generating XML output for file tokenizer.cpp Generating XML output for file tokenizer.h Generating XML output for file utils.cpp Generating XML output for file utils.h Generate XML output for dir /<>/src/ Running plantuml with JAVA... Running dot... type lookup cache used 7693/262144 hits=62872 misses=7925 symbol lookup cache used 5303/262144 hits=49970 misses=5303 finished... sed -e 's,@DOXYGEN_XML_DIR@,/<>/doc/doxygen/xml,g' \ -e 's,@LAMMPS_SOURCE_DIR@,/<>/doc/../src,g' \ -e 's,@LAMMPS_PYTHON_DIR@,/<>/doc/../python,g' \ -e 's,@LAMMPS_DOC_DIR@,/<>/doc,g' /<>/doc/utils/sphinx-config/conf.py.in > /<>/doc/utils/sphinx-config/conf.py WARNING: The directory '/sbuild-nonexistent/.cache/pip' or its parent directory is not owned or is not writable by the current user. The cache has been disabled. Check the permissions and owner of that directory. If executing pip with sudo, you should use sudo's -H flag. Obtaining file:///<>/lammps-20240207%2Bdfsg/doc/utils/converters Installing build dependencies: started Installing build dependencies: finished with status 'error' error: subprocess-exited-with-error × pip subprocess to install build dependencies did not run successfully. │ exit code: 1 ╰─> [8 lines of output] WARNING: The directory '/sbuild-nonexistent/.cache/pip' or its parent directory is not owned or is not writable by the current user. The cache has been disabled. Check the permissions and owner of that directory. If executing pip with sudo, you should use sudo's -H flag. WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ ERROR: Could not find a version that satisfies the requirement setuptools>=40.8.0 (from versions: none) ERROR: No matching distribution found for setuptools>=40.8.0 [end of output] note: This error originates from a subprocess, and is likely not a problem with pip. error: subprocess-exited-with-error × pip subprocess to install build dependencies did not run successfully. │ exit code: 1 ╰─> See above for output. note: This error originates from a subprocess, and is likely not a problem with pip. make[3]: Entering directory '/<>/doc/graphviz' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/<>/doc/graphviz' Running Sphinx v7.4.7 loading translations [en]... done Initializing Spelling Checker 7.7.0 making output directory... done Converting `source_suffix = '.rst'` to `source_suffix = {'.rst': 'restructuredtext'}`. building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 987 source files that are out of date updating environment: [new config] 987 added, 0 changed, 0 removed reading sources... [ 5%] Bibliography .. Developer_updating reading sources... [ 10%] Developer_utils .. Howto_spherical reading sources... [ 14%] Howto_spins .. Modify_contribute reading sources... [ 19%] Modify_dump .. Speed_opt reading sources... [ 24%] Speed_packages .. atc_extrinsic_exchange reading sources... [ 29%] atc_fe_md_boundary .. atc_temperature_definition reading sources... [ 33%] atc_time_filter .. compute_angmom_chunk reading sources... [ 38%] compute_ave_sphere_atom .. compute_improper reading sources... [ 43%] compute_improper_local .. compute_smd_tlsph_num_neighs reading sources... [ 48%] compute_smd_tlsph_shape .. create_atoms reading sources... [ 52%] create_bonds .. fix_amoeba_bitorsion reading sources... [ 57%] fix_amoeba_pitorsion .. fix_freeze reading sources... [ 62%] fix_gcmc .. fix_nve reading sources... [ 67%] fix_nve_asphere .. fix_reaxff_bonds reading sources... [ 71%] fix_reaxff_species .. fix_wall_gran_region reading sources... [ 76%] fix_wall_piston .. neb_spin reading sources... [ 81%] neigh_modify .. pair_exp6_rx reading sources... [ 86%] pair_extep .. pair_momb reading sources... [ 90%] pair_morse .. pair_tersoff_zbl reading sources... [ 95%] pair_thole .. unfix reading sources... [100%] units .. write_restart WARNING: unknown directive or role name: f:func /<>/doc/src/Classes_lammps.rst:4: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func :4: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:1: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:4: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:43: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:254: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:module /<>/doc/src/Fortran.rst:257: ERROR: Unknown directive type "f:module". .. f:module:: LIBLAMMPS WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:259: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:currentmodule /<>/doc/src/Fortran.rst:262: ERROR: Unknown directive type "f:currentmodule". .. f:currentmodule:: None WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:264: ERROR: Unknown directive type "f:type". .. f:type:: lammps Derived type that is the general class of the Fortran interface. It holds a reference to the :cpp:class:`LAMMPS ` class instance to which any of the included calls are forwarded. :f handle: reference to the LAMMPS class :ftype handle: c_ptr :f style: derived type to access lammps style constants :ftype style: type(lammps_style) :f type: derived type to access lammps type constants :ftype type: type(lammps_type) :f dtype: derived type to access lammps data type constants :ftype dtype: type(lammps_dtype) :f close: :f:subr:`close` :ftype close: subroutine :f subroutine error: :f:subr:`error` :ftype error: subroutine :f file: :f:subr:`file` :ftype file: subroutine :f command: :f:subr:`command` :ftype command: subroutine :f commands_list: :f:subr:`commands_list` :ftype commands_list: subroutine :f commands_string: :f:subr:`commands_string` :ftype commands_string: subroutine :f get_natoms: :f:func:`get_natoms` :ftype get_natoms: function :f get_thermo: :f:func:`get_thermo` :ftype get_thermo: function :f last_thermo: :f:func:`last_thermo` :ftype last_thermo: function :f extract_box: :f:subr:`extract_box` :ftype extract_box: subroutine :f reset_box: :f:subr:`reset_box` :ftype reset_box: subroutine :f memory_usage: :f:subr:`memory_usage` :ftype memory_usage: subroutine :f get_mpi_comm: :f:func:`get_mpi_comm` :ftype get_mpi_comm: function :f extract_setting: :f:func:`extract_setting` :ftype extract_setting: function :f extract_global: :f:func:`extract_global` :ftype extract_global: function :f extract_atom: :f:func:`extract_atom` :ftype extract_atom: function :f extract_compute: :f:func:`extract_compute` :ftype extract_compute: function :f extract_fix: :f:func:`extract_fix` :ftype extract_fix: function :f extract_variable: :f:func:`extract_variable` :ftype extract_variable: function :f set_variable: :f:subr:`set_variable` :ftype set_variable: subroutine :f set_string_variable: :f:subr:`set_set_string_variable` :ftype set_string_variable: subroutine :f set_internal_variable: :f:subr:`set_internal_variable` :ftype set_internal_variable: subroutine :f gather_atoms: :f:subr:`gather_atoms` :ftype gather_atoms: subroutine :f gather_atoms_concat: :f:subr:`gather_atoms_concat` :ftype gather_atoms_concat: subroutine :f gather_atoms_subset: :f:subr:`gather_atoms_subset` :ftype gather_atoms_subset: subroutine :f scatter_atoms: :f:subr:`scatter_atoms` :ftype scatter_atoms: subroutine :f scatter_atoms_subset: :f:subr:`scatter_atoms_subset` :ftype scatter_atoms_subset: subroutine :f gather_bonds: :f:subr:`gather_bonds` :ftype gather_bonds: subroutine :f gather_angles: :f:subr:`gather_angles` :ftype gather_angles: subroutine :f gather_dihedrals: :f:subr:`gather_dihedrals` :ftype gather_dihedrals: subroutine :f gather_impropers: :f:subr:`gather_impropers` :ftype gather_impropers: subroutine :f gather: :f:subr:`gather` :ftype gather: subroutine :f gather_concat: :f:subr:`gather_concat` :ftype gather_concat: subroutine :f gather_subset: :f:subr:`gather_subset` :ftype gather_subset: subroutine :f scatter: :f:subr:`scatter` :ftype scatter: subroutine :f scatter_subset: :f:subr:`scatter_subset` :ftype scatter_subset: subroutine :f create_atoms: :f:subr:`create_atoms` :ftype create_atoms: subroutine :f find_pair_neighlist: :f:func:`find_pair_neighlist` :ftype find_pair_neighlist: function :f find_fix_neighlist: :f:func:`find_fix_neighlist` :ftype find_fix_neighlist: function :f find_compute_neighlist: :f:func:`find_compute_neighlist` :ftype find_compute_neighlist: function :f neighlist_num_elements: :f:func:`neighlist_num_elements` :ftype neighlist_num_elements: function :f neighlist_element_neighbors: :f:subr:`neighlist_element_neighbors` :ftype neighlist_element_neighbors: subroutine :f version: :f:func:`version` :ftype version: function :f get_os_info: :f:subr:`get_os_info` :ftype get_os_info: subroutine :f config_has_mpi_support: :f:func:`config_has_mpi_support` :ftype config_has_mpi_support: function :f config_has_gzip_support: :f:func:`config_has_gzip_support` :ftype config_has_gzip_support: function :f config_has_png_support: :f:func:`config_has_png_support` :ftype config_has_png_support: function :f config_has_jpeg_support: :f:func:`config_has_jpeg_support` :ftype config_has_jpeg_support: function :f config_has_ffmpeg_support: :f:func:`config_has_ffmpeg_support` :ftype config_has_ffmpeg_support: function :f config_has_exceptions: :f:func:`config_has_exceptions` :ftype config_has_exceptions: function :f config_has_package: :f:func:`config_has_package` :ftype config_has_package: function :f config_package_count: :f:func:`config_package_count` :ftype config_package_count: function :f config_package_name: :f:func:`config_package_name` :ftype config_package_name: function :f installed_packages: :f:subr:`installed_packages` :ftype installed_packages: subroutine :f config_accelerator: :f:func:`config_accelerator` :ftype config_accelerator: function :f has_gpu_device: :f:func:`has_gpu_device` :ftype has_gpu_device: function :f get_gpu_device_info: :f:subr:`get_gpu_device_info` :ftype get_gpu_device_info: subroutine :f has_style: :f:func:`has_style` :ftype has_style: function :f style_count: :f:func:`style_count` :ftype style_count: function :f style_name: :f:func:`style_name` :ftype style_name: function :f has_id: :f:func:`has_id` :ftype has_id: function :f id_count: :f:func:`id_count` :ftype id_count: function :f id_name: :f:subr:`id_name` :ftype id_name: subroutine :f plugin_count: :f:func:`plugin_count` :ftype plugin_count: function :f plugin_name: :f:subr:`plugin_name` :ftype plugin_count: subroutine :f encode_image_flags: :f:func:`encode_image_flags` :ftype encode_image_flags: function :f decode_image_flags: :f:subr:`decode_image_flags` :ftype decode_image_flags: subroutine :f set_fix_external_callback: :f:subr:`set_fix_external_callback` :ftype set_fix_external_callback: subroutine :f fix_external_get_force: :f:func:`fix_external_get_force` :ftype fix_external_get_force: function :f fix_external_set_energy_global: :f:subr:`fix_external_set_energy_global` :ftype fix_external_set_energy_global: subroutine :f fix_external_set_virial_global: :f:subr:`fix_external_set_virial_global` :ftype fix_external_set_virial_global: subroutine :f fix_external_set_energy_peratom: :f:subr:`fix_external_set_energy_peratom` :ftype fix_external_set_energy_peratom: subroutine :f fix_external_set_virial_peratom: :f:subr:`fix_external_set_virial_peratom` :ftype fix_external_set_virial_peratom: subroutine :f fix_external_set_vector_length: :f:subr:`fix_external_set_vector_length` :ftype fix_external_set_vector_length: subroutine :f fix_external_set_vector: :f:subr:`fix_external_set_vector` :ftype fix_external_set_vector: subroutine :f flush_buffers: :f:subr:`flush_buffers` :ftype flush_buffers: subroutine :f is_running: :f:func:`is_running` :ftype is_running: function :f force_timeout: :f:subr:`force_timeout` :ftype force_timeout: subroutine :f has_error: :f:func:`has_error` :ftype has_error: function :f get_last_error_message: :f:subr:`get_last_error_message` :ftype get_last_error_message: subroutine WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:441: ERROR: Unknown directive type "f:function". .. f:function:: lammps([args][,comm]) This is the constructor for the Fortran class and will forward the arguments to a call to either :cpp:func:`lammps_open_fortran` or :cpp:func:`lammps_open_no_mpi`. If the LAMMPS library has been compiled with MPI support, it will also initialize MPI, if it has not already been initialized before. The *args* argument with the list of command line parameters is optional and so it the *comm* argument with the MPI communicator. If *comm* is not provided, ``MPI_COMM_WORLD`` is assumed. For more details please see the documentation of :cpp:func:`lammps_open`. :o args: arguments as list of strings :otype args: character(len=\*),dimension(:),optional :o comm: MPI communicator :otype comm: integer,optional :to: :cpp:func:`lammps_open_fortran` :to: :cpp:func:`lammps_open_no_mpi` :r lammps: an instance of the :f:type:`lammps` derived type .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this interface due to the complexities of supporting both the :f:mod:`MPI_F08` and :f:mod:`MPI` modules at the same time. However, you should be able to use the ``MPI_VAL`` member of the ``MPI_comm`` derived type to access the integer value of the communicator, such as in .. code-block:: fortran PROGRAM testmpi USE LIBLAMMPS USE MPI_F08 TYPE(lammps) :: lmp lmp = lammps(comm=MPI_COMM_SELF%MPI_VAL) END PROGRAM testmpi WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:480: ERROR: Unknown directive type "f:type". .. f:type:: lammps_style This derived type is there to provide a convenient interface for the style constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%style%global``, ``lmp%style%atom``, and ``lmp%style%local``. These values are identical to the values described in :cpp:enum:`_LMP_STYLE_CONST` for the C library interface. :f integer(c_int) global: used to request global data :f integer(c_int) atom: used to request per-atom data :f integer(c_int) local: used to request local data WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:493: ERROR: Unknown directive type "f:type". .. f:type:: lammps_type This derived type is there to provide a convenient interface for the type constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%type%scalar``, ``lmp%type%vector``, and ``lmp%type%array``. These values are identical to the values described in :cpp:enum:`_LMP_TYPE_CONST` for the C library interface. :f integer(c_int) scalar: used to request scalars :f integer(c_int) vector: used to request vectors :f integer(c_int) array: used to request arrays (matrices) WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:506: ERROR: Unknown interpreted text role "f:type". WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: close([finalize]) This method will close down the LAMMPS instance through calling :cpp:func:`lammps_close`. If the *finalize* argument is present and has a value of ``.TRUE.``, then this subroutine also calls :cpp:func:`lammps_kokkos_finalize` and :cpp:func:`lammps_mpi_finalize`. :o finalize: shut down the MPI environment of the LAMMPS library if ``.TRUE.``. :otype finalize: logical,optional :to: :cpp:func:`lammps_close` :to: :cpp:func:`lammps_mpi_finalize` :to: :cpp:func:`lammps_kokkos_finalize` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:526: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: error(error_type, error_text) This method is a wrapper around the :cpp:func:`lammps_error` function and will dispatch an error through the LAMMPS Error class. .. versionadded:: 3Nov2022 :p error_type: constant to select which Error class function to call :ptype error_type: integer(c_int) :p character(len=\*) error_text: error message :to: :cpp:func:`lammps_error` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:540: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: file(filename) This method will call :cpp:func:`lammps_file` to have LAMMPS read and process commands from a file. :p character(len=\*) filename: name of file with LAMMPS commands :to: :cpp:func:`lammps_file` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:550: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: command(cmd) This method will call :cpp:func:`lammps_command` to have LAMMPS execute a single command. :p character(len=\*) cmd: single LAMMPS command :to: :cpp:func:`lammps_command` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:560: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_list(cmds) This method will call :cpp:func:`lammps_commands_list` to have LAMMPS execute a list of input lines. :p character(len=\*) cmd [dimension(:)]: list of LAMMPS input lines :to: :cpp:func:`lammps_commands_list` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:570: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_string(str) This method will call :cpp:func:`lammps_commands_string` to have LAMMPS execute a block of commands from a string. :p character(len=\*) str: LAMMPS input in string :to: :cpp:func:`lammps_commands_string` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:580: ERROR: Unknown directive type "f:function". .. f:function:: get_natoms() This function will call :cpp:func:`lammps_get_natoms` and return the number of atoms in the system. :to: :cpp:func:`lammps_get_natoms` :r real(c_double) natoms: number of atoms .. note:: If you would prefer to get the number of atoms in its native format (i.e., as a 32- or 64-bit integer, depending on how LAMMPS was compiled), this can be extracted with :f:func:`extract_global`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:596: ERROR: Unknown directive type "f:function". .. f:function:: get_thermo(name) This function will call :cpp:func:`lammps_get_thermo` and return the value of the corresponding thermodynamic keyword. .. versionadded:: 3Nov2022 :p character(len=\*) name: string with the name of the thermo keyword :to: :cpp:func:`lammps_get_thermo` :r value [real(c_double)]: value of the requested thermo property or `0.0_c_double` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:609: ERROR: Unknown directive type "f:function". .. f:function:: last_thermo(what, index) This function will call :cpp:func:`lammps_last_thermo` and returns either a string or a pointer to a cached copy of LAMMPS last thermodynamic output, depending on the data requested through *what*. Note that *index* uses 1-based indexing to access thermo output columns. .. versionadded:: 15Jun2023 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``). The pointer being associated with LAMMPS data is type-checked at run-time via an overloaded assignment operator. The pointers returned by this function point to temporary, read-only data that may be overwritten at any time, so their target values need to be copied to local storage if they are supposed to persist. For example, .. code-block:: fortran PROGRAM thermo USE LIBLAMMPS USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double, c_int64_t, c_int TYPE(lammps) :: lmp INTEGER(KIND=c_int64_t), POINTER :: ntimestep, bval REAL(KIND=c_double), POINTER :: dval INTEGER(KIND=c_int), POINTER :: nfield, typ, ival INTEGER(KIND=c_int) :: i CHARACTER(LEN=11) :: key lmp = lammps() CALL lmp%file('in.sysinit') ntimestep = lmp%last_thermo('step', 0) nfield = lmp%last_thermo('num', 0) PRINT*, 'Last thermo output on step: ', ntimestep, ' Number of fields: ', nfield DO i=1, nfield key = lmp%last_thermo('keyword',i) typ = lmp%last_thermo('type',i) IF (typ == lmp%dtype%i32) THEN ival = lmp%last_thermo('data',i) PRINT*, key, ':', ival ELSE IF (typ == lmp%dtype%i64) THEN bval = lmp%last_thermo('data',i) PRINT*, key, ':', bval ELSE IF (typ == lmp%dtype%r64) THEN dval = lmp%last_thermo('data',i) PRINT*, key, ':', dval END IF END DO CALL lmp%close(.TRUE.) END PROGRAM thermo would extract the last timestep where thermo output was done and the number of columns it printed. Then it loops over the columns to print out column header keywords and the corresponding data. .. note:: If :f:func:`last_thermo` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function. :p character(len=\*) what: string with the name of the thermo keyword :p integer(c_int) index: 1-based column index :to: :cpp:func:`lammps_last_thermo` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:699: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflags][, boxflag]) This subroutine will call :cpp:func:`lammps_extract_box`. All parameters are optional, though obviously at least one should be present. The parameters *pflags* and *boxflag* are stored in LAMMPS as integers, but should be declared as ``LOGICAL`` variables when calling from Fortran. .. versionadded:: 3Nov2022 :o real(c_double) boxlo [dimension(3),optional]: vector in which to store lower-bounds of simulation box :o real(c_double) boxhi [dimension(3),optional]: vector in which to store upper-bounds of simulation box :o real(c_double) xy [optional]: variable in which to store *xy* tilt factor :o real(c_double) yz [optional]: variable in which to store *yz* tilt factor :o real(c_double) xz [optional]: variable in which to store *xz* tilt factor :o pflags: vector in which to store periodicity flags (``.TRUE.`` means periodic in that dimension) :otype pflags: logical,dimension(3),optional :o boxflag: variable in which to store boolean denoting whether the box will change during a simulation (``.TRUE.`` means box will change) :otype boxflag: logical,optional :to: :cpp:func:`lammps_extract_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:741: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: reset_box(boxlo, boxhi, xy, yz, xz) This subroutine will call :cpp:func:`lammps_reset_box`. All parameters are required. .. versionadded:: 3Nov2022 :p real(c_double) boxlo [dimension(3)]: vector of three doubles containing the lower box boundary :p real(c_double) boxhi [dimension(3)]: vector of three doubles containing the upper box boundary :p real(c_double) xy: *x--y* tilt factor :p real(c_double) yz: *y--z* tilt factor :p real(c_double) xz: *x--z* tilt factor :to: :cpp:func:`lammps_reset_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:759: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: memory_usage(meminfo) This subroutine will call :cpp:func:`lammps_memory_usage` and store the result in the three-element array *meminfo*. .. versionadded:: 3Nov2022 :p real(c_double) meminfo [dimension(3)]: vector of three doubles in which to store memory usage data :to: :cpp:func:`lammps_memory_usage` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:772: ERROR: Unknown directive type "f:function". .. f:function:: get_mpi_comm() This function returns a Fortran representation of the LAMMPS "world" communicator. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_get_mpi_comm` :r comm: Fortran integer equivalent to the MPI communicator LAMMPS is using :rtype comm: integer .. note:: The C library interface currently returns type ``int`` instead of type ``MPI_Fint``, which is the C type corresponding to Fortran ``INTEGER`` types of the default kind. On most compilers, these are the same anyway, but this interface exchanges values this way to avoid warning messages. .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this function. However, you should be able to convert between the two using the `MPI_VAL` member of the communicator. For example, .. code-block:: fortran USE MPI_F08 USE LIBLAMMPS TYPE(lammps) :: lmp TYPE(MPI_Comm) :: comm ! ... [commands to set up LAMMPS/etc.] comm%MPI_VAL = lmp%get_mpi_comm() should assign an :f:mod:`MPI_F08` communicator properly. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:812: ERROR: Unknown directive type "f:function". .. f:function:: extract_setting(keyword) Query LAMMPS about global settings. See the documentation for the :cpp:func:`lammps_extract_setting` function from the C library. .. versionadded:: 3Nov2022 :p character(len=\*) keyword: string containing the name of the thermo keyword :to: :cpp:func:`lammps_extract_setting` :r integer(c_int) setting: value of the queried setting or :math:`-1` if unknown WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:826: ERROR: Unknown directive type "f:function". .. f:function:: extract_global(name) This function calls :cpp:func:`lammps_extract_global` and returns either a string or a pointer to internal global LAMMPS data, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``) and have compatible kind and rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. The pointers returned by this function are generally persistent; therefore it is not necessary to call the function again unless a :doc:`clear` command has been issued, which wipes out and recreates the contents of the :cpp:class:`LAMMPS ` class. For example, .. code-block:: fortran PROGRAM demo USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t, c_int, c_double USE LIBLAMMPS TYPE(lammps) :: lmp INTEGER(c_int), POINTER :: nlocal => NULL() INTEGER(c_int64_t), POINTER :: ntimestep => NULL() REAL(c_double), POINTER :: dt => NULL() CHARACTER(LEN=10) :: units lmp = lammps() ! other commands nlocal = lmp%extract_global('nlocal') ntimestep = lmp%extract_global('ntimestep') dt = lmp%extract_global('dt') units = lmp%extract_global('units') ! more commands lmp.close(.TRUE.) END PROGRAM demo would extract the number of atoms on this processor, the current time step, the size of the current time step, and the units being used into the variables *nlocal*, *ntimestep*, *dt*, and *units*, respectively. .. note:: If :f:func:`extract_global` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function, but you can automatically reallocate it to the correct length after the function returns, viz., .. code-block :: fortran PROGRAM test USE LIBLAMMPS TYPE(lammps) :: lmp CHARACTER(LEN=:), ALLOCATABLE :: str lmp = lammps() CALL lmp%command('units metal') ALLOCATE(CHARACTER(LEN=80) :: str) str = lmp%extract_global('units') str = TRIM(str) ! re-allocates to length len_trim(str) here PRINT*, LEN(str), LEN_TRIM(str) END PROGRAM test will print the number 5 (the length of the word "metal") twice. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_global` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. If expecting vector data, the pointer should have dimension ":". .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:921: ERROR: Unknown directive type "f:function". .. f:function:: extract_atom(name) This function calls :cpp:func:`lammps_extract_atom` and returns a pointer to LAMMPS data tied to the :cpp:class:`Atom` class, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a pointer, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type, kind, and rank (e.g., ``INTEGER(c_int), DIMENSION(:)`` for "type", "mask", or "id"; ``INTEGER(c_int64_t), DIMENSION(:)`` for "id" if LAMMPS was compiled with the ``-DLAMMPS_BIGBIG`` flag; ``REAL(c_double), DIMENSION(:,:)`` for "x", "v", or "f"; and so forth). The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_atom` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-interoperable pointer of appropriate kind and rank (e.g., ``INTEGER(c_int), POINTER :: mask(:)``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting matrix data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. warning:: Pointers returned by this function are generally not persistent, as per-atom data may be redistributed, reallocated, and reordered at every re-neighboring operation. It is advisable to re-bind pointers using :f:func:`extract_atom` between runs. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_atom` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. For example, in C, .. code-block:: c void *lmp; double **x; /* more code to setup, etc. */ x = lammps_extract_atom(lmp, "x"); printf("%f\n", x[5][1]); will print the *y*-coordinate of the sixth atom on this processor. Conversely, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:,:), POINTER :: x => NULL() ! more code to setup, etc. x = lmp%extract_atom("x") PRINT '(f0.6)', x(2,6) will print the *y*-coordinate of the sixth atom on this processor (note the transposition of the two indices). This is not a choice, but rather a consequence of the different conventions adopted by the Fortran and C standards decades ago: in C, the block of data .. parsed-literal:: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 interpreted as a :math:`4\times4` matrix would be .. math:: \begin{bmatrix} 1 & 2 & 3 & 4 \\ 5 & 6 & 7 & 8 \\ 9 & 10 & 11 & 12 \\ 13 & 14 & 15 & 16 \end{bmatrix}, that is, in row-major order. In Fortran, the same block of data is interpreted in column-major order, namely, .. math:: \begin{bmatrix} 1 & 5 & 9 & 13 \\ 2 & 6 & 10 & 14 \\ 3 & 7 & 11 & 15 \\ 4 & 8 & 12 & 16 \end{bmatrix}. This difference in interpretation of the same block of data by the two languages means, in effect, that matrices from C or C++ will be transposed when interpreted in Fortran. .. note:: If you would like the indices to start at 0 instead of 1 (which follows typical notation in C and C++, but not Fortran), you can create another pointer and associate it thus: .. code-block:: fortran REAL(c_double), DIMENSION(:,:), POINTER :: x, x0 x = lmp%extract_atom("x") x0(0:,0:) => x The above would cause the dimensions of *x* to be (1:3, 1:nmax) and those of *x0* to be (0:2, 0:nmax\ :math:`-`\ 1). WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1032: ERROR: Unknown directive type "f:function". .. f:function:: extract_compute(id, style, type) This function calls :cpp:func:`lammps_extract_compute` and returns a pointer to LAMMPS data tied to the :cpp:class:`Compute` class, specifically data provided by the compute identified by *id*. Computes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since computes may provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct data type to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: COM ! code to setup, create atoms, etc. CALL lmp%command('compute COM all com') COM = lmp%extract_compute('COM', lmp%style%global, lmp%style%type) will bind the variable *COM* to the center of mass of the atoms created in your simulation. The vector in this case has length 3; the length (or, in the case of array data, the number of rows and columns) is determined for you based on data from the :cpp:class:`Compute` class. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_compute` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. See the note at :f:func:`extract_atom` for further details. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - ``REAL(c_double), POINTER`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Global vector * - ``lmp%style%global`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Global array * - ``lmp%style%atom`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Local vector * - ``lmp%style%local`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Local array :p character(len=\*) id: compute ID from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :to: :cpp:func:`lammps_extract_compute` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-compatible pointer (e.g., ``REAL(c_double), POINTER :: x``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting array (matrix) data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. note:: If the compute's data are not already computed for the current step, the compute will be invoked. LAMMPS cannot easily check at that time if it is valid to invoke a compute, so it may fail with an error. The caller has to check to avoid such an error. .. warning:: The pointers returned by this function are generally not persistent, since the computed data may be re-distributed, re-allocated, and re-ordered at every invocation. It is advisable to re-invoke this function before the data are accessed or make a copy if the data are to be used after other LAMMPS commands have been issued. Do **not** modify the data returned by this function. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1144: ERROR: Unknown directive type "f:function". .. f:function:: extract_fix(id, style, type[, nrow][, ncol]) This function calls :cpp:func:`lammps_extract_fix` and returns a pointer to LAMMPS data tied to the :cpp:class:`Fix` class, specifically data provided by the fix identified by *id*. Fixes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since many fixes provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Global data are calculated at the time they are requested and are only available element-by-element. As such, the user is expected to provide the *nrow* variable to specify which element of a global vector or the *nrow* and *ncol* variables to specify which element of a global array the user wishes LAMMPS to return. The *ncol* variable is optional for global scalar or vector data, and both *nrow* and *ncol* are optional when a global scalar is requested, as well as when per-atom or local data are requested. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - nrow - ncol - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - Ignored - Ignored - ``REAL(c_double)`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - Required - Ignored - ``REAL(c_double)`` - Element of global vector * - ``lmp%style%global`` - ``lmp%type%array`` - Required - Required - ``REAL(c_double)`` - Element of global array * - ``lmp%style%atom`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%atom`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%local`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%local`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array In the case of global data, this function returns a value of type ``REAL(c_double)``. For per-atom or local data, this function does not return a value but instead associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type and kind to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: dr, dx, dy, dz ! more code to set up, etc. lmp%command('fix george all recenter 2 2 2') ! more code dr = lmp%extract_fix("george", lmp%style%global, lmp%style%scalar) dx = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 1) dy = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 2) dz = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 3) will extract the global scalar calculated by :doc:`fix recenter ` into the variable *dr* and the three elements of the global vector calculated by fix recenter into the variables *dx*, *dy*, and *dz*, respectively. If asked for per-atom or local data, :f:func:`extract_compute` returns a pointer to actual LAMMPS data. The pointer so returned will have the appropriate size to match the internal data, and will be type/kind/rank-checked at the time of the assignment. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: r ! more code to set up, etc. lmp%command('fix state all store/state 0 x y z') ! more code r = lmp%extract_fix('state', lmp%style%atom, lmp%type%array) will bind the pointer *r* to internal LAMMPS data representing the per-atom array computed by :doc:`fix store/state ` when three inputs are specified. Similarly, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: x ! more code to set up, etc. lmp%command('fix state all store/state 0 x') ! more code x = lmp%extract_fix('state', lmp%style%atom, lmp%type%vector) will associate the pointer *x* with internal LAMMPS data corresponding to the per-atom vector computed by :doc:`fix store/state ` when only one input is specified. Similar examples with ``lmp%style%atom`` replaced by ``lmp%style%local`` will extract local data from fixes that define local vectors and/or arrays. .. warning:: The pointers returned by this function for per-atom or local data are generally not persistent, since the computed data may be redistributed, reallocated, and reordered at every invocation of the fix. It is thus advisable to re-invoke this function before the data are accessed or to make a copy if the data are to be used after other LAMMPS commands have been issued. .. note:: LAMMPS cannot easily check if it is valid to access the data, so it may fail with an error. The caller has to avoid such an error. :p character(len=\*) id: string with the name of the fix from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :p integer(c_int) nrow: row index (used only for global vectors and arrays) :p integer(c_int) ncol: column index (only used for global arrays) :to: :cpp:func:`lammps_extract_fix` :r data: LAMMPS data (for global data) or a pointer to LAMMPS data (for per-atom or local data). The left-hand side of the assignment should be of type ``REAL(c_double)`` and have appropriate rank (i.e., ``DIMENSION(:)`` if expecting per-atom or local vector data and ``DIMENSION(:,:)`` if expecting per-atom or local array data). If expecting local or per-atom data, it should have the ``POINTER`` attribute, but if expecting global data, it should be an ordinary (non-``POINTER``) variable. :rtype data: polymorphic .. admonition:: Array index order Two-dimensional global, per-atom, or local array data from :f:func:`extract_fix` will be **transposed** from equivalent arrays in C (or in the ordinary LAMMPS interface accessed through thermodynamic output), and they will be indexed from 1, not 0. This is true even for global data, which are returned as scalars---this is done primarily so the interface is consistent, as there is no choice but to transpose the indices for per-atom or local array data. See the similar note under :f:func:`extract_atom` for further details. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1337: ERROR: Unknown directive type "f:function". .. f:function:: extract_variable(name[,group]) This function calls :cpp:func:`lammps_extract_variable` and returns a scalar, vector, or string containing the value of the variable identified by *name*. When the variable is an *equal*-style variable (or one compatible with that style such as *internal*), the variable is evaluated and the corresponding value returned. When the variable is an *atom*-style variable, the variable is evaluated and a vector of values is returned. With all other variables, a string is returned. The *group* argument is only used for *atom* style variables and is ignored otherwise. If *group* is absent for *atom*-style variables, the group is assumed to be "all". .. versionadded:: 3Nov2022 This function returns the values of the variables, not pointers to them. Vectors pointing to *atom*-style variables should be of type ``REAL(c_double)``, be of rank 1 (i.e., ``DIMENSION(:)``), and have the ``ALLOCATABLE`` attribute. .. note:: Unlike the C library interface, the Fortran interface does not require you to deallocate memory when you are through; this is done for you, behind the scenes. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: area ! more code to set up, etc. lmp%command('variable A equal lx*ly') ! more code area = lmp%extract_variable("A") will extract the *x*\ --*y* cross-sectional area of the simulation into the variable *area*. :p character(len=\*) name: variable name to evaluate :o character(len=\*) group [optional]: group for which to extract per-atom data (if absent, use "all") :to: :cpp:func:`lammps_extract_variable` :r data: scalar of type ``REAL(c_double)`` (for *equal*-style variables and others that are *equal*-compatible), vector of type ``REAL(c_double), DIMENSION(:), ALLOCATABLE`` for *atom*- or *vector*-style variables, or ``CHARACTER(LEN=*)`` for *string*-style and compatible variables. Strings whose length is too short to hold the result will be truncated. Allocatable strings must be allocated before this function is called; see note at :f:func:`extract_global` regarding allocatable strings. Allocatable arrays (for *atom*- and *vector*-style data) will be reallocated on assignment. :rtype data: polymorphic WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1401: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_variable(name, str) Set the value of a string-style variable. .. deprecated:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. .. warning:: This subroutine is deprecated and :f:subr:`set_string_variable` should be used instead. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1422: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_string_variable(name, str) Set the value of a string-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_string_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1438: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_internal_variable(name, val) Set the value of a internal-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the floating-point number *val* to the internal-style variable *name*\ . If *name* does not exist or is not an internal-style variable, an error is generated. :p character(len=*) name: name of the variable :p read(c_double) val: new value to assign to the variable :to: :cpp:func:`lammps_set_internal_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1454: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms(name, count, data) This function calls :cpp:func:`lammps_gather_atoms` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. The vector *data* will be ordered by atom ID, which requires consecutive atom IDs (1 to *natoms*). .. versionadded:: 3Nov2022 If you need a similar array but have non-consecutive atom IDs, see :f:func:`gather_atoms_concat`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms` .. note:: If you want data from this function to be accessible as a two-dimensional array, you can declare a rank-2 pointer and reassign it, like so: .. code-block:: fortran USE, INTRINSIC :: ISO_C_BINDING USE LIBLAMMPS TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), ALLOCATABLE, TARGET :: xdata REAL(c_double), DIMENSION(:,:), POINTER :: x ! other code to set up, etc. CALL lmp%gather_atoms('x',3,xdata) x(1:3,1:size(xdata)/3) => xdata You can then access the *y*\ -component of atom 3 with ``x(2,3)``. See the note about array index order at :f:func:`extract_atom`. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1511: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_concat(name, count, data) This function calls :cpp:func:`lammps_gather_atoms_concat` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 The vector *data* will not be ordered by atom ID, and there is no restriction on the IDs being consecutive. If you need the IDs, you can do another :f:func:`gather_atoms_concat` with *name* set to ``id``. If you need a similar array but have consecutive atom IDs, see :f:func:`gather_atoms`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1545: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_subset(name, count, ids, data) This function calls :cpp:func:`lammps_gather_atoms_subset` to gather the named atom-based entity for the atoms in the array *ids* from all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:func:`gather_atoms` or :f:func:`gather_atoms_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]; *ids* must be provided by the user, and *data* must be of rank 1 (i.e., ``DIMENSION(:)``) and have the ``ALLOCATABLE`` attribute. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms to be gathered :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1587: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms(name, data) This function calls :cpp:func:`lammps_scatter_atoms` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processors. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:func:`scatter_atoms_subset` to scatter data for some (or all) atoms, in any order. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length *natoms* or 3\*\ *natoms*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p data: per-atom values packed in a one-dimensional array containing the data to be scattered. This array must have length *natoms* (e.g., for *type* or *charge*) or length *natoms*\ :math:`{}\times 3` (e.g., for *x* or *f*). The array *data* must be rank 1 (i.e., ``DIMENSION(:)``) and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *x* or *charge* or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1618: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_atoms_subset` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processors. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array, *ids*. Use :f:func:`scatter_atoms` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of 1 or 3 values, depending on which quantity is being scattered, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57)], then *ids* would be [1, 100, 57] and *name* would be *x*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have either the same length as *ids* (for *mask*, *type*, etc.) or three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1652: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_bonds(data) Gather type and constituent atom information for all bonds. .. versionadded:: 3Nov2022 This function copies the list of all bonds into an allocatable array. The array will be filled with (bond type, bond atom 1, bond atom 2) for each bond. The array is allocated to the right length (i.e., three times the number of bonds). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM bonds USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: bonds INTEGER(c_int), DIMENSION(:,:), POINTER :: bonds_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create bonds, etc. CALL lmp%gather_bonds(bonds) bonds_array(1:3, 1:SIZE(bonds)/3) => bonds DO i = 1, SIZE(bonds)/3 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4)') 'bond', bonds_array(1,i), & '; type = ', bonds_array(2,i), bonds_array(3,i) END DO END PROGRAM bonds :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_bonds` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1697: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_angles(data) Gather type and constituent atom information for all angles. .. versionadded:: 8Feb2023 This function copies the list of all angles into an allocatable array. The array will be filled with (angle type, angle atom 1, angle atom 2, angle atom 3) for each angle. The array is allocated to the right length (i.e., four times the number of angles). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM angles USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: angles INTEGER(c_int), DIMENSION(:,:), POINTER :: angles_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create angles, etc. CALL lmp%gather_angles(angles) angles_array(1:4, 1:SIZE(angles)/4) => angles DO i = 1, SIZE(angles)/4 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4)') 'angle', angles_array(1,i), & '; type = ', angles_array(2,i), angles_array(3,i), angles_array(4,i) END DO END PROGRAM angles :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_angles` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1742: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, in order by atom ID. .. versionadded:: 22Dec2022 This subroutine gathers data from all processes and stores them in a one-dimensional allocatable array. The array *data* will be ordered by atom ID, which requires consecutive IDs (1 to *natoms*\ ). If you need a similar array but for non-consecutive atom IDs, see :cpp:func:`lammps_gather_concat`; for a similar array but for a subset of atoms, see :cpp:func:`lammps_gather_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x*, then *data* is [x(1,1), x(2,1), x(3,1), x(1,2), x(2,2), x(3,2), x(1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count*\ :math:`{}\times{}`\ *natoms*), as queried by :f:func:`get_natoms`. This function will return an error if fix or compute data are requested and the fix or compute ID given does not have per-atom data. See the note about re-interpreting the vector as a matrix at :f:subr:`gather_atoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values (e.g., 1 for *type* or *charge*, 3 for *x* or *f*); use *count* = 3 with *image* if you want the image flags unpacked into (*x*,\ *y*,\ *z*) components. :p real(c_double) data [dimension(:),allocatable]: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. :to: :cpp:func:`lammps_gather` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1784: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_dihedrals(data) Gather type and constituent atom information for all dihedrals. .. versionadded:: 8Feb2023 This function copies the list of all dihedrals into an allocatable array. The array will be filled with (dihedral type, dihedral atom 1, dihedral atom 2, dihedral atom 3, dihedral atom 4) for each dihedral. The array is allocated to the right length (i.e., five times the number of dihedrals). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM dihedrals USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: dihedrals INTEGER(c_int), DIMENSION(:,:), POINTER :: dihedrals_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create dihedrals, etc. CALL lmp%gather_dihedrals(dihedrals) dihedrals_array(1:5, 1:SIZE(dihedrals)/5) => dihedrals DO i = 1, SIZE(dihedrals)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'dihedral', dihedrals_array(1,i), & '; type = ', dihedrals_array(2,i), dihedrals_array(3,i), dihedrals_array(4,i), dihedrals_array(5,i) END DO END PROGRAM dihedrals :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_dihedrals` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1830: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_impropers(data) Gather type and constituent atom information for all impropers. .. versionadded:: 8Feb2023 This function copies the list of all impropers into an allocatable array. The array will be filled with (improper type, improper atom 1, improper atom 2, improper atom 3, improper atom 4) for each improper. The array is allocated to the right length (i.e., five times the number of impropers). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM impropers USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: impropers INTEGER(c_int), DIMENSION(:,:), POINTER :: impropers_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create impropers, etc. CALL lmp%gather_impropers(impropers) impropers_array(1:5, 1:SIZE(impropers)/5) => impropers DO i = 1, SIZE(impropers)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'improper', impropers_array(1,i), & '; type = ', impropers_array(2,i), impropers_array(3,i), impropers_array(4,i), impropers_array(5,i) END DO END PROGRAM impropers :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_impropers` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1876: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_concat(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, unordered. .. versionadded:: 22Dec2022 This subroutine gathers data for all atoms and stores them in a one-dimensional allocatable array. The data will be a concatenation of chunks from each processor's owned atoms, in whatever order the atoms are in on each processor. This process has no requirement that the atom IDs be consecutive. If you need the ID of each atom, you can do another call to either :f:subr:`gather_atoms_concat` or :f:subr:`gather_concat` with *name* set to ``id``. If you have consecutive IDs and want the data to be in order, use :f:subr:`gather`; for a similar array but for a subset of atoms, use :f:subr:`gather_subset`. The *data* array will be in groups of *count* values, with *natoms* groups total, but not in order by atom ID (e.g., if *name* is *x* and *count* is 3, then *data* might be something like [x(1,11), x(2,11), x(3,11), x(1,3), x(2,3), x(3,3), x(1,5), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1922: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_subset(name, count, ids, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes for a subset of atoms. .. versionadded:: 22Dec2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:subr:`gather` or :f:subr:`gather_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]); *ids* must be provided by the user, and *data* must have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If *data* is already allocated, it will be reallocated to fit the length of the incoming data. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: quantity to be scattered :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have the ``ALLOCATABLE`` attribute and will be allocated either to the same length as *ids* (for *mask*, *type*, etc.) or to three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter(name, data) This function calls :cpp:func:`lammps_scatter` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entity in *data* to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processes. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:subr:`scatter_subset` to scatter data for some (or all) atoms, unordered. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length (*count* :math:`\times` *natoms*). This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=*) name: desired quantity (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p data: per-atom values packed in a one-dimensional array; *data* should be of type ``INTEGER(c_int)`` or ``REAL(c_double)``, depending on the type of data being scattered, and be of rank 1 (i.e., ``DIMENSION(:)``). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2002: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_subset` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities in *data* from a subset of atoms to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processes. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array. Use :f:subr:`scatter` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of *count* values, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [x(1,1), x(2,1), x(3,1), x(1,100), x(2,100), x(3,100), x(1,57), x(2,57), x(3,57)], then *count* = 3 and *ids* = [1, 100, 57]. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) ids: list of atom IDs to scatter data for :p polymorphic data [dimension(:)]: per-atom values packed in a one-dimensional array of length *size(ids)* \* *count*. :to: :cpp:func:`lammps_scatter_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2035: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: create_atoms([id,] type, x, [v,] [image,] [bexpand]) This method calls :cpp:func:`lammps_create_atoms` to create additional atoms from a given list of coordinates and a list of atom types. Additionally, the atom IDs, velocities, and image flags may be provided. .. versionadded:: 3Nov2022 :p integer(c_int) type [dimension(N)]: vector of :math:`N` atom types (required/see note below) :p real(c_double) x [dimension(3N)]: vector of :math:`3N\ x/y/z` positions of the new atoms, arranged as :math:`[x_1,y_1,z_1,x_2,y_2,\dotsc]` (required/see note below) :o integer(kind=\*) id [dimension(N),optional]: vector of :math:`N` atom IDs; if absent, LAMMPS will generate them for you. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. :o real(c_double) v [dimension(3N),optional]: vector of :math:`3N` *x*\ /*y*\ /*z* velocities of the new atoms, arranged as :math:`[v_{1,x},v_{1,y},v_{1,z},v_{2,x}, \dotsc]`; if absent, they will be set to zero :o integer(kind=\*) image [dimension(N),optional]: vector of :math:`N` image flags; if absent, they are set to zero. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. See note below. :o bexpand: if ``.TRUE.``, atoms outside of shrink-wrap boundaries will be created, not dropped, and the box dimensions will be extended. Default is ``.FALSE.`` :otype bexpand: logical,optional :to: :cpp:func:`lammps_create_atoms` .. note:: The *type* and *x* arguments are required, but they are declared ``OPTIONAL`` in the module because making them mandatory would require *id* to be present as well. To have LAMMPS generate the ids for you, use a call something like .. code-block:: fortran lmp%create_atoms(type=new_types, x=new_xs) .. note:: When LAMMPS has been compiled with ``-DLAMMPS_BIGBIG``, it is not possible to include the *image* parameter but omit the *id* parameter. Either *id* must be present, or both *id* and *image* must be absent. This is required because having all arguments be optional in both generic functions creates an ambiguous interface. This limitation does not exist if LAMMPS was not compiled with ``-DLAMMPS_BIGBIG``. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2088: ERROR: Unknown directive type "f:function". .. f:function:: find_pair_neighlist(style[, exact][, nsub][, reqid]) Find index of a neighbor list requested by a pair style. .. versionadded:: 3Nov2022 This function determines which of the available neighbor lists for pair styles matches the given conditions. It first matches the style name. If *exact* is ``.TRUE.``, the name must match exactly; if ``.FALSE.``, a regular expression or sub-string match is done. If the pair style is *hybrid* or *hybrid/overlay*, the style is matched against the sub-styles instead. If the same pair style is used multiple times as a sub-style, the *nsub* argument must be :math:`> 0`; this argument represents the *n*\ th instance of the sub-style (same as for the :doc:`pair_coeff ` command, for example). In that case, *nsub*\ :math:`{} = 0` will not produce a match, and the function will return :math:`-1`. The final condition to be checked is the request ID (\ *reqid*\ ). This will usually be zero, but some pair styles request multiple neighbor lists and set the request ID to a value greater than zero. :p character(len=\*) style: String used to search for pair style instance. :o exact: Flag to control whether style should match exactly or only a regular expression/sub-string match is applied. Default: ``.TRUE.``. :otype exact: logical,optional :o integer(c_int) nsub [optional]: Match *nsub*\ th hybrid sub-style instance of the same style. Default: 0. :o integer(c_int) reqid [optional]: Request ID to identify the neighbor list in case there are multiple requests from the same pair style instance. Default: 0. :to: :cpp:func:`lammps_find_pair_neighlist` :r integer(c_int) index: Neighbor list index if found, otherwise :math:`-1`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2124: ERROR: Unknown directive type "f:function". .. f:function:: find_fix_neighlist(id[, reqid]) Find index of a neighbor list requested by a fix. .. versionadded:: 3Nov2022 The neighbor list request from a fix is identified by the fix ID and the request ID. The request ID is typically zero, but will be :math:`>0` for fixes with multiple neighbor list requests. :p character(len=\*) id: Identifier of fix instance :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same fix. Default: 0. :to: :cpp:func:`lammps_find_fix_neighlist` :r index: neighbor list index if found, otherwise :math:`-1` :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2144: ERROR: Unknown directive type "f:function". .. f:function:: find_compute_neighlist(id[, reqid]) Find index of a neighbor list requested by a compute. .. versionadded:: 3Nov2022 The neighbor list request from a compute is identified by the compute ID and the request ID. The request ID is typically zero, but will be :math:`> 0` in case a compute has multiple neighbor list requests. :p character(len=\*) id: Identifier of compute instance. :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same compute. Default: 0. :to: :cpp:func:`lammps_find_compute_neighlist` :r index: neighbor list index if found, otherwise :math:`-1`. :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2164: ERROR: Unknown directive type "f:function". .. f:function:: neighlist_num_elements(idx) Return the number of entries in the neighbor list with the given index. .. versionadded:: 3Nov2022 :p integer(c_int) idx: neighbor list index :to: :cpp:func:`lammps_neighlist_num_elements` :r inum: number of entries in neighbor list, or :math:`-1` if *idx* is not a valid index. :rtype inum: integer(c_int) :to: :cpp:func:`lammps_neighlist_num_elements` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2179: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: neighlist_element_neighbors(idx, element, iatom, neighbors) Return atom local index, number of neighbors, and array of neighbor local atom indices of a neighbor list entry. .. versionadded:: 3Nov2022 :p integer(c_int) idx: index of this neighbor list in the list of all neighbor lists :p integer(c_int) element: index of this neighbor list entry :p integer(c_int) iatom: local atom index (i.e., in the range [1,nlocal+nghost]; -1 if invalid or element value :p integer(c_int) neighbors [dimension(:),pointer]: pointer to an array of neighboring atom local indices :to: :cpp:func:`lammps_neighlist_element_neighbors` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2197: ERROR: Unknown directive type "f:function". .. f:function:: version() This method returns the numeric LAMMPS version like :cpp:func:`lammps_version` does. :to: :cpp:func:`lammps_version` :r version: LAMMPS version :rtype version: integer WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2208: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_os_info(buffer) This function can be used to retrieve detailed information about the hosting operating system and compiler/runtime environment. .. versionadded:: 3Nov2022 A suitable buffer has to be provided. The assembled text will be truncated so as not to overflow this buffer. The string is typically a few hundred bytes long. :p character(len=\*) buffer: string that will house the information. :to: :cpp:func:`lammps_get_os_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2225: ERROR: Unknown directive type "f:function". .. f:function:: config_has_mpi_support() This function is used to query whether LAMMPS was compiled with a real MPI library or in serial. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_config_has_mpi_support` :r has_mpi: ``.FALSE.`` when compiled with STUBS, ``.TRUE.`` if complied with MPI. :rtype has_mpi: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2239: ERROR: Unknown directive type "f:function". .. f:function:: config_has_gzip_support() Check if the LAMMPS library supports reading or writing compressed files via a pipe to gzip or similar compression programs. .. versionadded:: 3Nov2022 Several LAMMPS commands (e.g., :doc:`read_data`, :doc:`write_data`, :doc:`dump styles atom, custom, and xyz `) support reading and writing compressed files via creating a pipe to the ``gzip`` program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether ``gzip`` or any other supported compression programs themselves are installed and usable. :to: :cpp:func:`lammps_config_has_gzip_support` :r has_gzip: :rtype has_gzip: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2259: ERROR: Unknown directive type "f:function". .. f:function:: config_has_png_support() Check if the LAMMPS library supports writing PNG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `PNG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_png_support` :r has_png: :rtype has_png: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2278: ERROR: Unknown directive type "f:function". .. f:function:: config_has_jpeg_support() Check if the LAMMPS library supports writing JPEG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `JPEG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_jpeg_support` :r has_jpeg: :rtype has_jpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2296: ERROR: Unknown directive type "f:function". .. f:function:: config_has_ffmpeg_support() Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style movie ` supports generating movies from images on-the-fly via creating a pipe to the `ffmpeg `_ program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether the ``ffmpeg`` itself is installed and usable. :to: :cpp:func:`lammps_config_has_ffmpeg_support` :r has_ffmpeg: :rtype has_ffmpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2316: ERROR: Unknown directive type "f:function". .. f:function:: config_has_exceptions() Check whether LAMMPS errors will throw C++ exceptions. .. versionadded:: 3Nov2022 When using the library interface, the library interface functions will "catch" exceptions, and then the error status can be checked by calling :f:func:`has_error`. The most recent error message can be retrieved via :f:func:`get_last_error_message`. This allows to restart a calculation or delete and recreate the LAMMPS instance when a C++ exception occurs. One application of using exceptions this way is the :ref:`lammps_shell`. :to: :cpp:func:`lammps_config_has_exceptions` :r has_exceptions: :rtype has_exceptions: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2336: ERROR: Unknown directive type "f:function". .. f:function:: config_has_package(name) Check whether a specific package has been included in LAMMPS .. versionadded:: 3Nov2022 This function checks whether the LAMMPS library in use includes the specific :doc:`LAMMPS package ` provided as argument. :to: :cpp:func:`lammps_config_has_package` :r has_package: :rtype has_package: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2351: ERROR: Unknown directive type "f:function". .. f:function:: config_package_count() Count the number of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many :doc:`LAMMPS packages ` are included in the LAMMPS library in use. It directly calls the C library function :cpp:func:`lammps_config_package_count`. :to: :cpp:func:`lammps_config_package_count` :r integer(c_int) npackages: number of packages installed WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2366: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: config_package_name(idx, buffer) Get the name of a package in the list of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This subroutine copies the name of the package with the index *idx* into the provided string *buffer*. If the name of the package exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, *buffer* is set to an empty string. :p integer(c_int) idx: index of the package in the list of included packages :math:`(0 \le idx < \text{package count})` :p character(len=\*) buffer: string to hold the name of the package :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2385: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: installed_packages(package[, length]) Obtain a list of the names of enabled packages in the LAMMPS shared library and store it in *package*. .. versionadded:: 3Nov2022 This function is analogous to the :py:meth:`installed_packages ` function in the Python API. The optional argument *length* sets the length of each string in the vector *package* (default: 31). :p character(len=:) package [dimension(:),allocatable]: list of packages; *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``) with allocatable length. :o length: length of each string in the list. Default: 31. :otype length: integer,optional :to: :cpp:func:`lammps_config_package_count` :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2407: ERROR: Unknown directive type "f:function". .. f:function:: config_accelerator(package, category, setting) This function calls :cpp:func:`lammps_config_accelerator` to check the availability of compile time settings of included :doc:`accelerator packages ` in LAMMPS. .. versionadded:: 3Nov2022 Supported packages names are "GPU", "KOKKOS", "INTEL", and "OPENMP". Supported categories are "api" with possible settings "cuda", "hip", "phi", "pthreads", "opencl", "openmp", and "serial"; and "precision" with possible settings "double", "mixed", and "single". :p character(len=\*) package: string with the name of the accelerator package :p character(len=\*) category: string with the name of the setting :p character(len=\*) setting: string with the name of the specific setting :to: :cpp:func:`lammps_config_accelerator` :r available: ``.TRUE.`` if the combination of package, category, and setting is available, otherwise ``.FALSE.``. :rtype available: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2432: ERROR: Unknown directive type "f:function". .. f:function:: has_gpu_device() Checks for the presence of a viable GPU package device. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_gpu_device`, which checks at runtime whether an accelerator device is present that can be used with the :doc:`GPU package `. More detailed information about the available device or devices can be obtained by calling the :f:subr:`get_gpu_device_info` subroutine. :to: :cpp:func:`lammps_has_gpu_device` :r available: ``.TRUE.`` if a viable device is available, ``.FALSE.`` if not. :rtype available: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2452: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_gpu_device_info(buffer) Get GPU package device information. .. versionadded:: 3Nov2022 Calls :cpp:func:`lammps_get_gpu_device_info` to retrieve detailed information about any accelerator devices that are viable for use with the :doc:`GPU package `. It will fill *buffer* with a string that is equivalent to the output of the ``nvc_get_device`` or ``ocl_get_device`` or ``hip_get_device`` tools that are compiled alongside LAMMPS if the GPU package is enabled. A suitable-length Fortran string has to be provided. The assembled text will be truncated so as not to overflow this buffer. This string can be several kilobytes long if multiple devices are present. :p character(len=\*) buffer: string into which to copy the information. :to: :cpp:func:`lammps_get_gpu_device_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2474: ERROR: Unknown directive type "f:function". .. f:function:: has_style(category, name) Check whether a specific style has been included in LAMMPS. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_style` to check whether the LAMMPS library in use includes the specific style *name* associated with a specific *category* provided as arguments. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of the style :p character(len=\*) name: name of the style :to: :cpp:func:`lammps_has_style` :r has_style: ``.TRUE.`` if included, ``.FALSE.`` if not. :rtype has_style: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2493: ERROR: Unknown directive type "f:function". .. f:function:: style_count(category) Count the number of styles of *category* in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many styles in the provided *category* are included in the LAMMPS library currently in use. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of styles to count :to: :cpp:func:`lammps_style_count` :r integer(c_int) count: number of styles in *category* WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: style_name(category, idx, buffer) Look up the name of a style by index in the list of styles of a given category in the LAMMPS library. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_style_name` and copies the name of the *category* style with index *idx* into the provided string *buffer*. The length of *buffer* must be long enough to contain the name of the style; if it is too short, the name will be truncated accordingly. If *idx* is out of range, *buffer* will be the empty string and a warning will be issued. :p character(len=\*) category: category of styles :p integer(c_int) idx: index of the style in the list of *category* styles :math:`(1 \leq idx \leq \text{style count})` :p character(len\*) buffer: string buffer to copy the name of the style into :to: :cpp:func:`lammps_style_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2532: ERROR: Unknown directive type "f:function". .. f:function:: has_id(category, name) This function checks if the current LAMMPS instance a *category* ID of the given *name* exists. Valid categories are: *compute*\ , *dump*\ , *fix*\ , *group*\ , *molecule*\ , *region*\ , and *variable*\ . .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :p character(len=\*) name: name of the ID :to: :cpp:func:`lammps_has_id` :r has_id: ``.TRUE.`` if *category* style *name* exists, ``.FALSE.`` if not. :rtype has_id: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2548: ERROR: Unknown directive type "f:function". .. f:function:: id_count(category) This function counts how many IDs in the provided *category* are defined in the current LAMMPS instance. Please see :f:func:`has_id` for a list of valid categories. .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :to: :cpp:func:`lammps_id_count` :r count: number of IDs in *category* :rtype count: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2563: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: id_name(category, idx, buffer) Look up the name of an ID by index in the list of IDs of a given category. .. versionadded:: 3Nov2022 This function copies the name of the *category* ID with the index *idx* into the provided string *buffer*\ . The length of the buffer must be long enough to hold the string; if the name of the style exceeds the length of the buffer, it will be truncated accordingly. If *buffer* is ``ALLOCATABLE``, it must be allocated *before* the function is called. If *idx* is out of range, *buffer* is set to an empty string and a warning is issued. :p character(len=\*) category: category of IDs :p integer(c_int) idx: index of the ID in the list of *category* styles (:math:`0 \leq idx < count`) :p character(len=\*) buffer: string into which to copy the name of the style :to: :cpp:func:`lammps_id_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2586: ERROR: Unknown directive type "f:function". .. f:function:: plugin_count() This function counts the number of loaded plugins. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_plugin_count` :r n: number of loaded plugins :rtype n: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2598: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: plugin_name(idx, stylebuf, namebuf) Look up the style and name of a plugin by its index in the list of plugins. .. versionadded:: 3Nov2022 This function copies the name of the *style* plugin with the index *idx* into the provided C-style string buffer. The length of the buffer must be provided as *buf_size* argument. If the name of the style exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, both strings are set to the empty string and a warning is printed. :p integer(c_int) idx: index of the plugin in the list all or *style* plugins :p character(len=\*) stylebuf: string into which to copy the style of the plugin :p character(len=\*) namebuf: string into which to copy the style of the plugin :to: :cpp:func:`lammps_plugin_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2621: ERROR: Unknown directive type "f:function". .. f:function:: encode_image_flags(ix, iy, iz) Encodes three integer image flags into a single imageint. .. versionadded:: 3Nov2022 This function performs the bit-shift, addition, and bit-wise OR operations necessary to combine the values of three integers representing the image flags in the :math:`x`-, :math:`y`-, and :math:`z`-directions. Unless LAMMPS is compiled with ``-DLAMMPS_BIGBIG``, those integers are limited to 10-bit signed integers :math:`[-512,512)`. If ``-DLAMMPS_BIGBIG`` was used when compiling, then the return value is of kind ``c_int64_t`` instead of kind ``c_int``, and the valid range for the individual image flags becomes :math:`[-1048576,1048575)` (i.e., the range of a 21-bit signed integer). There is no check on whether the arguments conform to these requirements; values out of range will simply be wrapped back into the interval. :p integer(c_int) ix: image flag in :math:`x`-direction :p integer(c_int) iy: image flag in :math:`y`-direction :p integer(c_int) iz: image flag in :math:`z`-direction :r integer(kind=\*) imageint: encoded image flag. \*The ``KIND`` parameter is ``c_int`` unless LAMMPS was built with ``-DLAMMPS_BIGBIG``, in which case it is ``c_int64_t``. .. note:: The fact that the programmer does not know the ``KIND`` parameter of the return value until compile time means that it is impossible to define an interface that works for both sizes of ``imageint``. One side effect of this is that you must assign the return value of this function to a variable; it cannot be used as the argument to another function or as part of an array constructor. For example, .. code-block:: fortran my_images = [lmp%encode_image_flags(0,0,0), lmp%encode_image_flags(1,0,0)] will *not* work; instead, do something like .. code-block:: fortran my_images(1) = lmp%encode_image_flags(0,0,0) my_images(2) = lmp%encode_image_flags(1,0,0) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2667: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: decode_image_flags(image, flags) This function does the reverse operation of :f:func:`encode_image_flags`: it takes the image flag and performs the bit-shift and bit-masking operations to decode it and stores the resulting three integers into the array *flags*. .. versionadded:: 3Nov2022 :p integer(kind=\*) image: encoded image flag. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, ``c_int64_t``. Kind compatibility is checked at run-time. :p integer(c_int) flags [dimension(3)]: three-element vector where the decoded image flags will be stored. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2684: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_callback(id, callback, caller) Set the callback function for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interface to modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This subroutine sets the callback function for use with the "pf/callback" mode. The function should have Fortran language bindings with the following interface, which depends on how LAMMPS was compiled: .. code-block:: fortran ABSTRACT INTERFACE SUBROUTINE external_callback(caller, timestep, ids, x, fexternal) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t CLASS(*), INTENT(INOUT) :: caller INTEGER(c_bigint), INTENT(IN) :: timestep INTEGER(c_tagint), DIMENSION(:), INTENT(IN) :: ids REAL(c_double), DIMENSION(:,:), INTENT(IN) :: x REAL(c_double), DIMENSION(:,:), INTENT(OUT) :: fexternal END SUBROUTINE external_callback END INTERFACE where ``c_bigint`` is ``c_int`` if ``-DLAMMPS_SMALLSMALL`` was used and ``c_int64_t`` otherwise; and ``c_tagint`` is ``c_int64_t`` if ``-DLAMMPS_BIGBIG`` was used and ``c_int`` otherwise. The argument *caller* to :f:subr:`set_fix_external_callback` is unlimited polymorphic (i.e., it can be any Fortran object you want to pass to the calling function) and will be available as the first argument to the callback function. It can be your LAMMPS instance, which you might need if the callback function needs access to the library interface. The argument must be a scalar; to pass non-scalar data, wrap those data in a derived type and pass an instance of the derived type to *caller*. The array *ids* is an array of length *nlocal* (as accessed from the :cpp:class:`Atom` class or through :f:func:`extract_global`). The arrays *x* and *fexternal* are :math:`3 \times {}`\ *nlocal* arrays; these are transposed from what they would look like in C (see note about array index order at :f:func:`extract_atom`). The callback mechanism is one of two ways that forces can be applied to a simulation with the help of :doc:`fix external `. The alternative is *array* mode, where one calls :f:func:`fix_external_get_force`. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and couple it with external programs. :p character(len=*) id: ID of :doc:`fix external ` instance :p callback: subroutine :doc:`fix external ` should call :ptype callback: external :p class(*) caller [optional]: object you wish to pass to the callback procedure (must be a scalar; see note) :to: :cpp:func:`lammps_set_fix_external_callback` .. note:: The interface for your callback function must match types precisely with the abstract interface block given above. **The compiler probably will not be able to check this for you.** In particular, the first argument ("caller") must be of type ``CLASS(*)`` or you will probably get a segmentation fault or at least a misinterpretation of whatever is in memory there. You can resolve the object using the ``SELECT TYPE`` construct. An example callback function (assuming LAMMPS was compiled with ``-DLAMMPS_SMALLBIG``) that applies something akin to Hooke's Law (with each atom having a different *k* value) is shown below. .. code-block:: fortran MODULE stuff USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : error_unit IMPLICIT NONE TYPE shield REAL(c_double), DIMENSION(:,:), ALLOCATABLE :: k ! assume k gets allocated to dimension(3,nlocal) at some point ! and assigned values END TYPE shield SUBROUTINE my_callback(caller, timestep, ids, x, fexternal) CLASS(*), INTENT(INOUT) :: caller INTEGER(c_int), INTENT(IN) :: timestep INTEGER(c_int64_t), INTENT(IN) :: ids REAL(c_double), INTENT(IN) :: x(:,:) REAL(c_double), INTENT(OUT) :: fexternal(:,:) SELECT TYPE (caller) TYPE IS (shield) fexternal = - caller%k * x CLASS DEFAULT WRITE(error_unit,*) 'UH OH...' END SELECT END SUBROUTINE my_callback END MODULE stuff ! then, when assigning the callback function, do this: PROGRAM example USE LIBLAMMPS USE stuff TYPE(lammps) :: lmp TYPE(shield) :: my_shield lmp = lammps() CALL lmp%command('fix ext all external pf/callback 1 1') CALL lmp%set_fix_external_callback('ext', my_callback, my_shield) END PROGRAM example WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2800: ERROR: Unknown directive type "f:function". .. f:function:: fix_external_get_force(id) Get pointer to the force array storage in a fix external instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interfaces to add or modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This function provides access to the per-atom force storage in a fix external instance with the given fix-ID to be added to the individual atoms when using the "pf/array" mode. The *fexternal* array can be accessed like other "native" per-atom arrays accessible via the :f:func:`extract_atom` function. Please note that the array stores the forces for *local* atoms for each MPI rank, in the order determined by the neighbor list build. Because the underlying data structures can change as well as the order of atom as they migrate between MPI processes because of the domain decomposition parallelization, this function should be always called immediately before the forces are going to be set to get an up-to-date pointer. You can use, for example, :f:func:`extract_setting` to obtain the number of local atoms `nlocal` and then assume the dimensions of the returned force array as ``REAL(c_double) :: force(3,nlocal)``. This function is an alternative to the callback mechanism in fix external set up by :f:subr:`set_fix_external_callback`. The main difference is that this mechanism can be used when forces are to be pre-computed and the control alternates between LAMMPS and the external driver, while the callback mechanism can call an external subroutine to compute the force when the fix is triggered and needs them. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: ID of :doc:`fix external ` instance :to: :cpp:func:`lammps_fix_external_get_force` :r fexternal: pointer to the per-atom force array allocated by the fix :rtype fexternal: real(c_double),dimension(3,nlocal) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2844: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_global(id, eng) Set the global energy contribution for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:func:`set_fix_external_callback` and :f:func:`fix_external_get_force` that also sets the contribution to the global energy from the external program. The value of the *eng* argument will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The energy is in energy units as determined by the current :doc:`units ` settings and is the **total** energy of the contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will be returned as a scalar property of the fix external instance when accessed in LAMMPS input commands or from variables. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) eng: total energy to be added to the global energy :to: :cpp:func:`lammps_fix_external_set_energy_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2872: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_virial_global(id, virial) Set the global virial contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the contribution to the global virial from an external program. The six values of the *virial* array will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The components of the virial need to be stored in the following order: *xx*, *yy*, *zz*, *xy*, *xz*, *yz*. In LAMMPS, the virial is stored internally as `stress*volume` in units of `pressure*volume` as determined by the current :doc:`units ` settings and is the **total** contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will then be added by fix external. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(6)]: the six global stress tensor components to be added to the global virial :to: :cpp:func:`lammps_fix_external_set_virial_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2904: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_peratom(id, eng) Set the per-atom energy contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom energy contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as part of the *caller* argument when registering the callback function, or the callback function must otherwise have access to the LAMMPS object, such as through a module-based pointer. .. note:: This function is fully independent from :f:subr:`fix_external_set_energy_global` and will **NOT** add any contributions to the global energy tally and will **NOT** check whether the sum of the contributions added here are consistent with the global added energy. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of the fix external instance :p real(c_double) eng [dimension(:)]: array of length *nlocal* containing the energy to add to the per-atom energy :to: :cpp:func:`lammps_fix_external_set_energy_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2937: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_set_virial_peratom(id, virial) This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom virial contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as the *caller* argument when registering the callback function. .. versionadded:: 22Dec2022 .. note:: This function is fully independent from :f:subr:`fix_external_set_virial_global` and will **NOT** add any contributions to the global virial tally and **NOT** check whether the sum of the contributions added here are consistent with the global added virial. The order and units of the per-atom stress tensor elements are the same as for the global virial. The type and dimensions of the per-atom virial array must be ``REAL(c_double), DIMENSION(6,nlocal)``. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(:,:)]: an array of :math:`6 \times{}`\ *nlocal* components to be added to the per-atom virial :to: :cpp:func:`lammps_set_virial_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector_length(id, length) Set the vector length for a global vector stored with fix external for analysis. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the length of a global vector of properties that will be stored with the fix via :f:subr:`fix_external_set_vector`. This function needs to be called **before** a call to :f:subr:`fix_external_set_vector` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the same length argument. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p integer(c_int) length: length of the global vector to be stored with the fix :to: :cpp:func:`lammps_fix_external_set_vector_length` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2997: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector(id, idx, val) Store a global vector value for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the values of a global vector of properties that will be stored with the fix and can be accessed from within LAMMPS input commands (e.g., fix ave/time or variables) when used in a vector context. This function needs to be called **after** a call to :f:subr:`fix_external_set_vector_length` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the **same** *idx* and *val* parameters. The variable *val* is assumed to be extensive. .. note:: The index in the *idx* parameter is 1-based (i.e., the first element is set with *idx*\ :math:`{} = 1`, and the last element of the vector with *idx*\ :math:`{} = N`, where :math:`N` is the value of the *length* parameter of the call to :f:subr:`fix_external_set_vector_length`). Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: ID of fix external instance :p integer(c_int) idx: 1-based index in global vector :p integer(c_int) val: value to be stored in global vector at index *idx* :to: :cpp:func:`lammps_fix_external_set_vector` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3033: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: flush_buffers() This function calls :cpp:func:`lammps_flush_buffers`, which flushes buffered output to be written to screen and logfile. This can simplify capturing output from LAMMPS library calls. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_flush_buffers` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3045: ERROR: Unknown directive type "f:function". .. f:function:: is_running() Check if LAMMPS is currently inside a run or minimization. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to determine if the LAMMPS instance is currently active. :to: :cpp:func:`lammps_is_running` :r is_running: ``.FALSE.`` if idle or ``.TRUE.`` if active :rtype is_running: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3060: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: force_timeout() Force a timeout to stop an ongoing run cleanly. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to terminate an ongoing run cleanly. :to: :cpp:func:`lammps_force_timeout` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3073: ERROR: Unknown directive type "f:function". .. f:function:: has_error() Check if there is a (new) error message available. .. versionadded:: 3Nov2022 This function can be used to query if an error inside of LAMMPS has thrown a :ref:`C++ exception `. :to: :cpp:func:`lammps_has_error` :r has_error: ``.TRUE.`` if there is an error. :rtype has_error: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3088: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_last_error_message(buffer[,status]) Copy the last error message into the provided buffer. .. versionadded:: 3Nov2022 This function can be used to retrieve the error message that was set in the event of an error inside of LAMMPS that resulted in a :ref:`C++ exception `. A suitable buffer for a string has to be provided. If the internally-stored error message is longer than the string, it will be truncated accordingly. The optional argument *status* indicates the kind of error: a "1" indicates an error that occurred on all MPI ranks and is often recoverable, while a "2" indicates an abort that would happen only in a single MPI rank and thus may not be recoverable, as other MPI ranks may be waiting on the failing MPI rank(s) to send messages. :p character(len=\*) buffer: string buffer to copy the error message into :o integer(c_int) status [optional]: 1 when all ranks had the error, 2 on a single-rank error. :to: :cpp:func:`lammps_get_last_error_message` looking for now-outdated files... none found pickling environment... done checking consistency... /<>/doc/src/angle_coeff.rst: document is referenced in multiple toctrees: ['commands_list', 'angles'], selecting: commands_list <- angle_coeff /<>/doc/src/angle_style.rst: document is referenced in multiple toctrees: ['commands_list', 'angles'], selecting: commands_list <- angle_style /<>/doc/src/angle_write.rst: document is referenced in multiple toctrees: ['commands_list', 'angles'], selecting: commands_list <- angle_write /<>/doc/src/bond_coeff.rst: document is referenced in multiple toctrees: ['bonds', 'commands_list'], selecting: commands_list <- bond_coeff /<>/doc/src/bond_style.rst: document is referenced in multiple toctrees: ['bonds', 'commands_list'], selecting: commands_list <- bond_style /<>/doc/src/bond_write.rst: document is referenced in multiple toctrees: ['bonds', 'commands_list'], selecting: commands_list <- bond_write /<>/doc/src/compute_modify.rst: document is referenced in multiple toctrees: ['computes', 'commands_list'], selecting: computes <- compute_modify /<>/doc/src/dihedral_coeff.rst: document is referenced in multiple toctrees: ['dihedrals', 'commands_list'], selecting: dihedrals <- dihedral_coeff /<>/doc/src/dihedral_style.rst: document is referenced in multiple toctrees: ['dihedrals', 'commands_list'], selecting: dihedrals <- dihedral_style /<>/doc/src/dihedral_write.rst: document is referenced in multiple toctrees: ['dihedrals', 'commands_list'], selecting: dihedrals <- dihedral_write /<>/doc/src/dump.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump /<>/doc/src/dump_adios.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_adios /<>/doc/src/dump_cfg_uef.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_cfg_uef /<>/doc/src/dump_h5md.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_h5md /<>/doc/src/dump_image.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_image /<>/doc/src/dump_modify.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_modify /<>/doc/src/dump_molfile.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_molfile /<>/doc/src/dump_netcdf.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_netcdf /<>/doc/src/dump_vtk.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_vtk /<>/doc/src/fix_modify.rst: document is referenced in multiple toctrees: ['fixes', 'commands_list'], selecting: fixes <- fix_modify /<>/doc/src/fix_modify_atc_commands.rst: document is referenced in multiple toctrees: ['Manual', 'fixes'], selecting: fixes <- fix_modify_atc_commands /<>/doc/src/improper_coeff.rst: document is referenced in multiple toctrees: ['impropers', 'commands_list'], selecting: impropers <- improper_coeff /<>/doc/src/improper_style.rst: document is referenced in multiple toctrees: ['impropers', 'commands_list'], selecting: impropers <- improper_style /<>/doc/src/pair_coeff.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_coeff /<>/doc/src/pair_modify.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_modify /<>/doc/src/pair_style.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_style /<>/doc/src/pair_write.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_write done preparing documents... done copying assets... copying static files... done copying extra files... done copying assets: done writing output... 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[100%] Fortran WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:1: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:4: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:43: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:254: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:module /<>/doc/src/Fortran.rst:257: ERROR: Unknown directive type "f:module". .. f:module:: LIBLAMMPS WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:259: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:currentmodule /<>/doc/src/Fortran.rst:262: ERROR: Unknown directive type "f:currentmodule". .. f:currentmodule:: None WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:264: ERROR: Unknown directive type "f:type". .. f:type:: lammps Derived type that is the general class of the Fortran interface. It holds a reference to the :cpp:class:`LAMMPS ` class instance to which any of the included calls are forwarded. :f handle: reference to the LAMMPS class :ftype handle: c_ptr :f style: derived type to access lammps style constants :ftype style: type(lammps_style) :f type: derived type to access lammps type constants :ftype type: type(lammps_type) :f dtype: derived type to access lammps data type constants :ftype dtype: type(lammps_dtype) :f close: :f:subr:`close` :ftype close: subroutine :f subroutine error: :f:subr:`error` :ftype error: subroutine :f file: :f:subr:`file` :ftype file: subroutine :f command: :f:subr:`command` :ftype command: subroutine :f commands_list: :f:subr:`commands_list` :ftype commands_list: subroutine :f commands_string: :f:subr:`commands_string` :ftype commands_string: subroutine :f get_natoms: :f:func:`get_natoms` :ftype get_natoms: function :f get_thermo: :f:func:`get_thermo` :ftype get_thermo: function :f last_thermo: :f:func:`last_thermo` :ftype last_thermo: function :f extract_box: :f:subr:`extract_box` :ftype extract_box: subroutine :f reset_box: :f:subr:`reset_box` :ftype reset_box: subroutine :f memory_usage: :f:subr:`memory_usage` :ftype memory_usage: subroutine :f get_mpi_comm: :f:func:`get_mpi_comm` :ftype get_mpi_comm: function :f extract_setting: :f:func:`extract_setting` :ftype extract_setting: function :f extract_global: :f:func:`extract_global` :ftype extract_global: function :f extract_atom: :f:func:`extract_atom` :ftype extract_atom: function :f extract_compute: :f:func:`extract_compute` :ftype extract_compute: function :f extract_fix: :f:func:`extract_fix` :ftype extract_fix: function :f extract_variable: :f:func:`extract_variable` :ftype extract_variable: function :f set_variable: :f:subr:`set_variable` :ftype set_variable: subroutine :f set_string_variable: :f:subr:`set_set_string_variable` :ftype set_string_variable: subroutine :f set_internal_variable: :f:subr:`set_internal_variable` :ftype set_internal_variable: subroutine :f gather_atoms: :f:subr:`gather_atoms` :ftype gather_atoms: subroutine :f gather_atoms_concat: :f:subr:`gather_atoms_concat` :ftype gather_atoms_concat: subroutine :f gather_atoms_subset: :f:subr:`gather_atoms_subset` :ftype gather_atoms_subset: subroutine :f scatter_atoms: :f:subr:`scatter_atoms` :ftype scatter_atoms: subroutine :f scatter_atoms_subset: :f:subr:`scatter_atoms_subset` :ftype scatter_atoms_subset: subroutine :f gather_bonds: :f:subr:`gather_bonds` :ftype gather_bonds: subroutine :f gather_angles: :f:subr:`gather_angles` :ftype gather_angles: subroutine :f gather_dihedrals: :f:subr:`gather_dihedrals` :ftype gather_dihedrals: subroutine :f gather_impropers: :f:subr:`gather_impropers` :ftype gather_impropers: subroutine :f gather: :f:subr:`gather` :ftype gather: subroutine :f gather_concat: :f:subr:`gather_concat` :ftype gather_concat: subroutine :f gather_subset: :f:subr:`gather_subset` :ftype gather_subset: subroutine :f scatter: :f:subr:`scatter` :ftype scatter: subroutine :f scatter_subset: :f:subr:`scatter_subset` :ftype scatter_subset: subroutine :f create_atoms: :f:subr:`create_atoms` :ftype create_atoms: subroutine :f find_pair_neighlist: :f:func:`find_pair_neighlist` :ftype find_pair_neighlist: function :f find_fix_neighlist: :f:func:`find_fix_neighlist` :ftype find_fix_neighlist: function :f find_compute_neighlist: :f:func:`find_compute_neighlist` :ftype find_compute_neighlist: function :f neighlist_num_elements: :f:func:`neighlist_num_elements` :ftype neighlist_num_elements: function :f neighlist_element_neighbors: :f:subr:`neighlist_element_neighbors` :ftype neighlist_element_neighbors: subroutine :f version: :f:func:`version` :ftype version: function :f get_os_info: :f:subr:`get_os_info` :ftype get_os_info: subroutine :f config_has_mpi_support: :f:func:`config_has_mpi_support` :ftype config_has_mpi_support: function :f config_has_gzip_support: :f:func:`config_has_gzip_support` :ftype config_has_gzip_support: function :f config_has_png_support: :f:func:`config_has_png_support` :ftype config_has_png_support: function :f config_has_jpeg_support: :f:func:`config_has_jpeg_support` :ftype config_has_jpeg_support: function :f config_has_ffmpeg_support: :f:func:`config_has_ffmpeg_support` :ftype config_has_ffmpeg_support: function :f config_has_exceptions: :f:func:`config_has_exceptions` :ftype config_has_exceptions: function :f config_has_package: :f:func:`config_has_package` :ftype config_has_package: function :f config_package_count: :f:func:`config_package_count` :ftype config_package_count: function :f config_package_name: :f:func:`config_package_name` :ftype config_package_name: function :f installed_packages: :f:subr:`installed_packages` :ftype installed_packages: subroutine :f config_accelerator: :f:func:`config_accelerator` :ftype config_accelerator: function :f has_gpu_device: :f:func:`has_gpu_device` :ftype has_gpu_device: function :f get_gpu_device_info: :f:subr:`get_gpu_device_info` :ftype get_gpu_device_info: subroutine :f has_style: :f:func:`has_style` :ftype has_style: function :f style_count: :f:func:`style_count` :ftype style_count: function :f style_name: :f:func:`style_name` :ftype style_name: function :f has_id: :f:func:`has_id` :ftype has_id: function :f id_count: :f:func:`id_count` :ftype id_count: function :f id_name: :f:subr:`id_name` :ftype id_name: subroutine :f plugin_count: :f:func:`plugin_count` :ftype plugin_count: function :f plugin_name: :f:subr:`plugin_name` :ftype plugin_count: subroutine :f encode_image_flags: :f:func:`encode_image_flags` :ftype encode_image_flags: function :f decode_image_flags: :f:subr:`decode_image_flags` :ftype decode_image_flags: subroutine :f set_fix_external_callback: :f:subr:`set_fix_external_callback` :ftype set_fix_external_callback: subroutine :f fix_external_get_force: :f:func:`fix_external_get_force` :ftype fix_external_get_force: function :f fix_external_set_energy_global: :f:subr:`fix_external_set_energy_global` :ftype fix_external_set_energy_global: subroutine :f fix_external_set_virial_global: :f:subr:`fix_external_set_virial_global` :ftype fix_external_set_virial_global: subroutine :f fix_external_set_energy_peratom: :f:subr:`fix_external_set_energy_peratom` :ftype fix_external_set_energy_peratom: subroutine :f fix_external_set_virial_peratom: :f:subr:`fix_external_set_virial_peratom` :ftype fix_external_set_virial_peratom: subroutine :f fix_external_set_vector_length: :f:subr:`fix_external_set_vector_length` :ftype fix_external_set_vector_length: subroutine :f fix_external_set_vector: :f:subr:`fix_external_set_vector` :ftype fix_external_set_vector: subroutine :f flush_buffers: :f:subr:`flush_buffers` :ftype flush_buffers: subroutine :f is_running: :f:func:`is_running` :ftype is_running: function :f force_timeout: :f:subr:`force_timeout` :ftype force_timeout: subroutine :f has_error: :f:func:`has_error` :ftype has_error: function :f get_last_error_message: :f:subr:`get_last_error_message` :ftype get_last_error_message: subroutine WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:441: ERROR: Unknown directive type "f:function". .. f:function:: lammps([args][,comm]) This is the constructor for the Fortran class and will forward the arguments to a call to either :cpp:func:`lammps_open_fortran` or :cpp:func:`lammps_open_no_mpi`. If the LAMMPS library has been compiled with MPI support, it will also initialize MPI, if it has not already been initialized before. The *args* argument with the list of command line parameters is optional and so it the *comm* argument with the MPI communicator. If *comm* is not provided, ``MPI_COMM_WORLD`` is assumed. For more details please see the documentation of :cpp:func:`lammps_open`. :o args: arguments as list of strings :otype args: character(len=\*),dimension(:),optional :o comm: MPI communicator :otype comm: integer,optional :to: :cpp:func:`lammps_open_fortran` :to: :cpp:func:`lammps_open_no_mpi` :r lammps: an instance of the :f:type:`lammps` derived type .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this interface due to the complexities of supporting both the :f:mod:`MPI_F08` and :f:mod:`MPI` modules at the same time. However, you should be able to use the ``MPI_VAL`` member of the ``MPI_comm`` derived type to access the integer value of the communicator, such as in .. code-block:: fortran PROGRAM testmpi USE LIBLAMMPS USE MPI_F08 TYPE(lammps) :: lmp lmp = lammps(comm=MPI_COMM_SELF%MPI_VAL) END PROGRAM testmpi WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:480: ERROR: Unknown directive type "f:type". .. f:type:: lammps_style This derived type is there to provide a convenient interface for the style constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%style%global``, ``lmp%style%atom``, and ``lmp%style%local``. These values are identical to the values described in :cpp:enum:`_LMP_STYLE_CONST` for the C library interface. :f integer(c_int) global: used to request global data :f integer(c_int) atom: used to request per-atom data :f integer(c_int) local: used to request local data WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:493: ERROR: Unknown directive type "f:type". .. f:type:: lammps_type This derived type is there to provide a convenient interface for the type constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%type%scalar``, ``lmp%type%vector``, and ``lmp%type%array``. These values are identical to the values described in :cpp:enum:`_LMP_TYPE_CONST` for the C library interface. :f integer(c_int) scalar: used to request scalars :f integer(c_int) vector: used to request vectors :f integer(c_int) array: used to request arrays (matrices) WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:506: ERROR: Unknown interpreted text role "f:type". WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: close([finalize]) This method will close down the LAMMPS instance through calling :cpp:func:`lammps_close`. If the *finalize* argument is present and has a value of ``.TRUE.``, then this subroutine also calls :cpp:func:`lammps_kokkos_finalize` and :cpp:func:`lammps_mpi_finalize`. :o finalize: shut down the MPI environment of the LAMMPS library if ``.TRUE.``. :otype finalize: logical,optional :to: :cpp:func:`lammps_close` :to: :cpp:func:`lammps_mpi_finalize` :to: :cpp:func:`lammps_kokkos_finalize` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:526: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: error(error_type, error_text) This method is a wrapper around the :cpp:func:`lammps_error` function and will dispatch an error through the LAMMPS Error class. .. versionadded:: 3Nov2022 :p error_type: constant to select which Error class function to call :ptype error_type: integer(c_int) :p character(len=\*) error_text: error message :to: :cpp:func:`lammps_error` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:540: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: file(filename) This method will call :cpp:func:`lammps_file` to have LAMMPS read and process commands from a file. :p character(len=\*) filename: name of file with LAMMPS commands :to: :cpp:func:`lammps_file` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:550: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: command(cmd) This method will call :cpp:func:`lammps_command` to have LAMMPS execute a single command. :p character(len=\*) cmd: single LAMMPS command :to: :cpp:func:`lammps_command` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:560: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_list(cmds) This method will call :cpp:func:`lammps_commands_list` to have LAMMPS execute a list of input lines. :p character(len=\*) cmd [dimension(:)]: list of LAMMPS input lines :to: :cpp:func:`lammps_commands_list` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:570: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_string(str) This method will call :cpp:func:`lammps_commands_string` to have LAMMPS execute a block of commands from a string. :p character(len=\*) str: LAMMPS input in string :to: :cpp:func:`lammps_commands_string` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:580: ERROR: Unknown directive type "f:function". .. f:function:: get_natoms() This function will call :cpp:func:`lammps_get_natoms` and return the number of atoms in the system. :to: :cpp:func:`lammps_get_natoms` :r real(c_double) natoms: number of atoms .. note:: If you would prefer to get the number of atoms in its native format (i.e., as a 32- or 64-bit integer, depending on how LAMMPS was compiled), this can be extracted with :f:func:`extract_global`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:596: ERROR: Unknown directive type "f:function". .. f:function:: get_thermo(name) This function will call :cpp:func:`lammps_get_thermo` and return the value of the corresponding thermodynamic keyword. .. versionadded:: 3Nov2022 :p character(len=\*) name: string with the name of the thermo keyword :to: :cpp:func:`lammps_get_thermo` :r value [real(c_double)]: value of the requested thermo property or `0.0_c_double` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:609: ERROR: Unknown directive type "f:function". .. f:function:: last_thermo(what, index) This function will call :cpp:func:`lammps_last_thermo` and returns either a string or a pointer to a cached copy of LAMMPS last thermodynamic output, depending on the data requested through *what*. Note that *index* uses 1-based indexing to access thermo output columns. .. versionadded:: 15Jun2023 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``). The pointer being associated with LAMMPS data is type-checked at run-time via an overloaded assignment operator. The pointers returned by this function point to temporary, read-only data that may be overwritten at any time, so their target values need to be copied to local storage if they are supposed to persist. For example, .. code-block:: fortran PROGRAM thermo USE LIBLAMMPS USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double, c_int64_t, c_int TYPE(lammps) :: lmp INTEGER(KIND=c_int64_t), POINTER :: ntimestep, bval REAL(KIND=c_double), POINTER :: dval INTEGER(KIND=c_int), POINTER :: nfield, typ, ival INTEGER(KIND=c_int) :: i CHARACTER(LEN=11) :: key lmp = lammps() CALL lmp%file('in.sysinit') ntimestep = lmp%last_thermo('step', 0) nfield = lmp%last_thermo('num', 0) PRINT*, 'Last thermo output on step: ', ntimestep, ' Number of fields: ', nfield DO i=1, nfield key = lmp%last_thermo('keyword',i) typ = lmp%last_thermo('type',i) IF (typ == lmp%dtype%i32) THEN ival = lmp%last_thermo('data',i) PRINT*, key, ':', ival ELSE IF (typ == lmp%dtype%i64) THEN bval = lmp%last_thermo('data',i) PRINT*, key, ':', bval ELSE IF (typ == lmp%dtype%r64) THEN dval = lmp%last_thermo('data',i) PRINT*, key, ':', dval END IF END DO CALL lmp%close(.TRUE.) END PROGRAM thermo would extract the last timestep where thermo output was done and the number of columns it printed. Then it loops over the columns to print out column header keywords and the corresponding data. .. note:: If :f:func:`last_thermo` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function. :p character(len=\*) what: string with the name of the thermo keyword :p integer(c_int) index: 1-based column index :to: :cpp:func:`lammps_last_thermo` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:699: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflags][, boxflag]) This subroutine will call :cpp:func:`lammps_extract_box`. All parameters are optional, though obviously at least one should be present. The parameters *pflags* and *boxflag* are stored in LAMMPS as integers, but should be declared as ``LOGICAL`` variables when calling from Fortran. .. versionadded:: 3Nov2022 :o real(c_double) boxlo [dimension(3),optional]: vector in which to store lower-bounds of simulation box :o real(c_double) boxhi [dimension(3),optional]: vector in which to store upper-bounds of simulation box :o real(c_double) xy [optional]: variable in which to store *xy* tilt factor :o real(c_double) yz [optional]: variable in which to store *yz* tilt factor :o real(c_double) xz [optional]: variable in which to store *xz* tilt factor :o pflags: vector in which to store periodicity flags (``.TRUE.`` means periodic in that dimension) :otype pflags: logical,dimension(3),optional :o boxflag: variable in which to store boolean denoting whether the box will change during a simulation (``.TRUE.`` means box will change) :otype boxflag: logical,optional :to: :cpp:func:`lammps_extract_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:741: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: reset_box(boxlo, boxhi, xy, yz, xz) This subroutine will call :cpp:func:`lammps_reset_box`. All parameters are required. .. versionadded:: 3Nov2022 :p real(c_double) boxlo [dimension(3)]: vector of three doubles containing the lower box boundary :p real(c_double) boxhi [dimension(3)]: vector of three doubles containing the upper box boundary :p real(c_double) xy: *x--y* tilt factor :p real(c_double) yz: *y--z* tilt factor :p real(c_double) xz: *x--z* tilt factor :to: :cpp:func:`lammps_reset_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:759: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: memory_usage(meminfo) This subroutine will call :cpp:func:`lammps_memory_usage` and store the result in the three-element array *meminfo*. .. versionadded:: 3Nov2022 :p real(c_double) meminfo [dimension(3)]: vector of three doubles in which to store memory usage data :to: :cpp:func:`lammps_memory_usage` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:772: ERROR: Unknown directive type "f:function". .. f:function:: get_mpi_comm() This function returns a Fortran representation of the LAMMPS "world" communicator. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_get_mpi_comm` :r comm: Fortran integer equivalent to the MPI communicator LAMMPS is using :rtype comm: integer .. note:: The C library interface currently returns type ``int`` instead of type ``MPI_Fint``, which is the C type corresponding to Fortran ``INTEGER`` types of the default kind. On most compilers, these are the same anyway, but this interface exchanges values this way to avoid warning messages. .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this function. However, you should be able to convert between the two using the `MPI_VAL` member of the communicator. For example, .. code-block:: fortran USE MPI_F08 USE LIBLAMMPS TYPE(lammps) :: lmp TYPE(MPI_Comm) :: comm ! ... [commands to set up LAMMPS/etc.] comm%MPI_VAL = lmp%get_mpi_comm() should assign an :f:mod:`MPI_F08` communicator properly. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:812: ERROR: Unknown directive type "f:function". .. f:function:: extract_setting(keyword) Query LAMMPS about global settings. See the documentation for the :cpp:func:`lammps_extract_setting` function from the C library. .. versionadded:: 3Nov2022 :p character(len=\*) keyword: string containing the name of the thermo keyword :to: :cpp:func:`lammps_extract_setting` :r integer(c_int) setting: value of the queried setting or :math:`-1` if unknown WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:826: ERROR: Unknown directive type "f:function". .. f:function:: extract_global(name) This function calls :cpp:func:`lammps_extract_global` and returns either a string or a pointer to internal global LAMMPS data, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``) and have compatible kind and rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. The pointers returned by this function are generally persistent; therefore it is not necessary to call the function again unless a :doc:`clear` command has been issued, which wipes out and recreates the contents of the :cpp:class:`LAMMPS ` class. For example, .. code-block:: fortran PROGRAM demo USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t, c_int, c_double USE LIBLAMMPS TYPE(lammps) :: lmp INTEGER(c_int), POINTER :: nlocal => NULL() INTEGER(c_int64_t), POINTER :: ntimestep => NULL() REAL(c_double), POINTER :: dt => NULL() CHARACTER(LEN=10) :: units lmp = lammps() ! other commands nlocal = lmp%extract_global('nlocal') ntimestep = lmp%extract_global('ntimestep') dt = lmp%extract_global('dt') units = lmp%extract_global('units') ! more commands lmp.close(.TRUE.) END PROGRAM demo would extract the number of atoms on this processor, the current time step, the size of the current time step, and the units being used into the variables *nlocal*, *ntimestep*, *dt*, and *units*, respectively. .. note:: If :f:func:`extract_global` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function, but you can automatically reallocate it to the correct length after the function returns, viz., .. code-block :: fortran PROGRAM test USE LIBLAMMPS TYPE(lammps) :: lmp CHARACTER(LEN=:), ALLOCATABLE :: str lmp = lammps() CALL lmp%command('units metal') ALLOCATE(CHARACTER(LEN=80) :: str) str = lmp%extract_global('units') str = TRIM(str) ! re-allocates to length len_trim(str) here PRINT*, LEN(str), LEN_TRIM(str) END PROGRAM test will print the number 5 (the length of the word "metal") twice. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_global` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. If expecting vector data, the pointer should have dimension ":". .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:921: ERROR: Unknown directive type "f:function". .. f:function:: extract_atom(name) This function calls :cpp:func:`lammps_extract_atom` and returns a pointer to LAMMPS data tied to the :cpp:class:`Atom` class, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a pointer, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type, kind, and rank (e.g., ``INTEGER(c_int), DIMENSION(:)`` for "type", "mask", or "id"; ``INTEGER(c_int64_t), DIMENSION(:)`` for "id" if LAMMPS was compiled with the ``-DLAMMPS_BIGBIG`` flag; ``REAL(c_double), DIMENSION(:,:)`` for "x", "v", or "f"; and so forth). The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_atom` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-interoperable pointer of appropriate kind and rank (e.g., ``INTEGER(c_int), POINTER :: mask(:)``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting matrix data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. warning:: Pointers returned by this function are generally not persistent, as per-atom data may be redistributed, reallocated, and reordered at every re-neighboring operation. It is advisable to re-bind pointers using :f:func:`extract_atom` between runs. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_atom` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. For example, in C, .. code-block:: c void *lmp; double **x; /* more code to setup, etc. */ x = lammps_extract_atom(lmp, "x"); printf("%f\n", x[5][1]); will print the *y*-coordinate of the sixth atom on this processor. Conversely, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:,:), POINTER :: x => NULL() ! more code to setup, etc. x = lmp%extract_atom("x") PRINT '(f0.6)', x(2,6) will print the *y*-coordinate of the sixth atom on this processor (note the transposition of the two indices). This is not a choice, but rather a consequence of the different conventions adopted by the Fortran and C standards decades ago: in C, the block of data .. parsed-literal:: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 interpreted as a :math:`4\times4` matrix would be .. math:: \begin{bmatrix} 1 & 2 & 3 & 4 \\ 5 & 6 & 7 & 8 \\ 9 & 10 & 11 & 12 \\ 13 & 14 & 15 & 16 \end{bmatrix}, that is, in row-major order. In Fortran, the same block of data is interpreted in column-major order, namely, .. math:: \begin{bmatrix} 1 & 5 & 9 & 13 \\ 2 & 6 & 10 & 14 \\ 3 & 7 & 11 & 15 \\ 4 & 8 & 12 & 16 \end{bmatrix}. This difference in interpretation of the same block of data by the two languages means, in effect, that matrices from C or C++ will be transposed when interpreted in Fortran. .. note:: If you would like the indices to start at 0 instead of 1 (which follows typical notation in C and C++, but not Fortran), you can create another pointer and associate it thus: .. code-block:: fortran REAL(c_double), DIMENSION(:,:), POINTER :: x, x0 x = lmp%extract_atom("x") x0(0:,0:) => x The above would cause the dimensions of *x* to be (1:3, 1:nmax) and those of *x0* to be (0:2, 0:nmax\ :math:`-`\ 1). WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1032: ERROR: Unknown directive type "f:function". .. f:function:: extract_compute(id, style, type) This function calls :cpp:func:`lammps_extract_compute` and returns a pointer to LAMMPS data tied to the :cpp:class:`Compute` class, specifically data provided by the compute identified by *id*. Computes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since computes may provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct data type to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: COM ! code to setup, create atoms, etc. CALL lmp%command('compute COM all com') COM = lmp%extract_compute('COM', lmp%style%global, lmp%style%type) will bind the variable *COM* to the center of mass of the atoms created in your simulation. The vector in this case has length 3; the length (or, in the case of array data, the number of rows and columns) is determined for you based on data from the :cpp:class:`Compute` class. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_compute` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. See the note at :f:func:`extract_atom` for further details. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - ``REAL(c_double), POINTER`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Global vector * - ``lmp%style%global`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Global array * - ``lmp%style%atom`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Local vector * - ``lmp%style%local`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Local array :p character(len=\*) id: compute ID from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :to: :cpp:func:`lammps_extract_compute` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-compatible pointer (e.g., ``REAL(c_double), POINTER :: x``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting array (matrix) data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. note:: If the compute's data are not already computed for the current step, the compute will be invoked. LAMMPS cannot easily check at that time if it is valid to invoke a compute, so it may fail with an error. The caller has to check to avoid such an error. .. warning:: The pointers returned by this function are generally not persistent, since the computed data may be re-distributed, re-allocated, and re-ordered at every invocation. It is advisable to re-invoke this function before the data are accessed or make a copy if the data are to be used after other LAMMPS commands have been issued. Do **not** modify the data returned by this function. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1144: ERROR: Unknown directive type "f:function". .. f:function:: extract_fix(id, style, type[, nrow][, ncol]) This function calls :cpp:func:`lammps_extract_fix` and returns a pointer to LAMMPS data tied to the :cpp:class:`Fix` class, specifically data provided by the fix identified by *id*. Fixes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since many fixes provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Global data are calculated at the time they are requested and are only available element-by-element. As such, the user is expected to provide the *nrow* variable to specify which element of a global vector or the *nrow* and *ncol* variables to specify which element of a global array the user wishes LAMMPS to return. The *ncol* variable is optional for global scalar or vector data, and both *nrow* and *ncol* are optional when a global scalar is requested, as well as when per-atom or local data are requested. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - nrow - ncol - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - Ignored - Ignored - ``REAL(c_double)`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - Required - Ignored - ``REAL(c_double)`` - Element of global vector * - ``lmp%style%global`` - ``lmp%type%array`` - Required - Required - ``REAL(c_double)`` - Element of global array * - ``lmp%style%atom`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%atom`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%local`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%local`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array In the case of global data, this function returns a value of type ``REAL(c_double)``. For per-atom or local data, this function does not return a value but instead associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type and kind to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: dr, dx, dy, dz ! more code to set up, etc. lmp%command('fix george all recenter 2 2 2') ! more code dr = lmp%extract_fix("george", lmp%style%global, lmp%style%scalar) dx = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 1) dy = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 2) dz = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 3) will extract the global scalar calculated by :doc:`fix recenter ` into the variable *dr* and the three elements of the global vector calculated by fix recenter into the variables *dx*, *dy*, and *dz*, respectively. If asked for per-atom or local data, :f:func:`extract_compute` returns a pointer to actual LAMMPS data. The pointer so returned will have the appropriate size to match the internal data, and will be type/kind/rank-checked at the time of the assignment. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: r ! more code to set up, etc. lmp%command('fix state all store/state 0 x y z') ! more code r = lmp%extract_fix('state', lmp%style%atom, lmp%type%array) will bind the pointer *r* to internal LAMMPS data representing the per-atom array computed by :doc:`fix store/state ` when three inputs are specified. Similarly, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: x ! more code to set up, etc. lmp%command('fix state all store/state 0 x') ! more code x = lmp%extract_fix('state', lmp%style%atom, lmp%type%vector) will associate the pointer *x* with internal LAMMPS data corresponding to the per-atom vector computed by :doc:`fix store/state ` when only one input is specified. Similar examples with ``lmp%style%atom`` replaced by ``lmp%style%local`` will extract local data from fixes that define local vectors and/or arrays. .. warning:: The pointers returned by this function for per-atom or local data are generally not persistent, since the computed data may be redistributed, reallocated, and reordered at every invocation of the fix. It is thus advisable to re-invoke this function before the data are accessed or to make a copy if the data are to be used after other LAMMPS commands have been issued. .. note:: LAMMPS cannot easily check if it is valid to access the data, so it may fail with an error. The caller has to avoid such an error. :p character(len=\*) id: string with the name of the fix from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :p integer(c_int) nrow: row index (used only for global vectors and arrays) :p integer(c_int) ncol: column index (only used for global arrays) :to: :cpp:func:`lammps_extract_fix` :r data: LAMMPS data (for global data) or a pointer to LAMMPS data (for per-atom or local data). The left-hand side of the assignment should be of type ``REAL(c_double)`` and have appropriate rank (i.e., ``DIMENSION(:)`` if expecting per-atom or local vector data and ``DIMENSION(:,:)`` if expecting per-atom or local array data). If expecting local or per-atom data, it should have the ``POINTER`` attribute, but if expecting global data, it should be an ordinary (non-``POINTER``) variable. :rtype data: polymorphic .. admonition:: Array index order Two-dimensional global, per-atom, or local array data from :f:func:`extract_fix` will be **transposed** from equivalent arrays in C (or in the ordinary LAMMPS interface accessed through thermodynamic output), and they will be indexed from 1, not 0. This is true even for global data, which are returned as scalars---this is done primarily so the interface is consistent, as there is no choice but to transpose the indices for per-atom or local array data. See the similar note under :f:func:`extract_atom` for further details. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1337: ERROR: Unknown directive type "f:function". .. f:function:: extract_variable(name[,group]) This function calls :cpp:func:`lammps_extract_variable` and returns a scalar, vector, or string containing the value of the variable identified by *name*. When the variable is an *equal*-style variable (or one compatible with that style such as *internal*), the variable is evaluated and the corresponding value returned. When the variable is an *atom*-style variable, the variable is evaluated and a vector of values is returned. With all other variables, a string is returned. The *group* argument is only used for *atom* style variables and is ignored otherwise. If *group* is absent for *atom*-style variables, the group is assumed to be "all". .. versionadded:: 3Nov2022 This function returns the values of the variables, not pointers to them. Vectors pointing to *atom*-style variables should be of type ``REAL(c_double)``, be of rank 1 (i.e., ``DIMENSION(:)``), and have the ``ALLOCATABLE`` attribute. .. note:: Unlike the C library interface, the Fortran interface does not require you to deallocate memory when you are through; this is done for you, behind the scenes. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: area ! more code to set up, etc. lmp%command('variable A equal lx*ly') ! more code area = lmp%extract_variable("A") will extract the *x*\ --*y* cross-sectional area of the simulation into the variable *area*. :p character(len=\*) name: variable name to evaluate :o character(len=\*) group [optional]: group for which to extract per-atom data (if absent, use "all") :to: :cpp:func:`lammps_extract_variable` :r data: scalar of type ``REAL(c_double)`` (for *equal*-style variables and others that are *equal*-compatible), vector of type ``REAL(c_double), DIMENSION(:), ALLOCATABLE`` for *atom*- or *vector*-style variables, or ``CHARACTER(LEN=*)`` for *string*-style and compatible variables. Strings whose length is too short to hold the result will be truncated. Allocatable strings must be allocated before this function is called; see note at :f:func:`extract_global` regarding allocatable strings. Allocatable arrays (for *atom*- and *vector*-style data) will be reallocated on assignment. :rtype data: polymorphic WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1401: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_variable(name, str) Set the value of a string-style variable. .. deprecated:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. .. warning:: This subroutine is deprecated and :f:subr:`set_string_variable` should be used instead. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1422: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_string_variable(name, str) Set the value of a string-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_string_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1438: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_internal_variable(name, val) Set the value of a internal-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the floating-point number *val* to the internal-style variable *name*\ . If *name* does not exist or is not an internal-style variable, an error is generated. :p character(len=*) name: name of the variable :p read(c_double) val: new value to assign to the variable :to: :cpp:func:`lammps_set_internal_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1454: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms(name, count, data) This function calls :cpp:func:`lammps_gather_atoms` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. The vector *data* will be ordered by atom ID, which requires consecutive atom IDs (1 to *natoms*). .. versionadded:: 3Nov2022 If you need a similar array but have non-consecutive atom IDs, see :f:func:`gather_atoms_concat`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms` .. note:: If you want data from this function to be accessible as a two-dimensional array, you can declare a rank-2 pointer and reassign it, like so: .. code-block:: fortran USE, INTRINSIC :: ISO_C_BINDING USE LIBLAMMPS TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), ALLOCATABLE, TARGET :: xdata REAL(c_double), DIMENSION(:,:), POINTER :: x ! other code to set up, etc. CALL lmp%gather_atoms('x',3,xdata) x(1:3,1:size(xdata)/3) => xdata You can then access the *y*\ -component of atom 3 with ``x(2,3)``. See the note about array index order at :f:func:`extract_atom`. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1511: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_concat(name, count, data) This function calls :cpp:func:`lammps_gather_atoms_concat` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 The vector *data* will not be ordered by atom ID, and there is no restriction on the IDs being consecutive. If you need the IDs, you can do another :f:func:`gather_atoms_concat` with *name* set to ``id``. If you need a similar array but have consecutive atom IDs, see :f:func:`gather_atoms`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1545: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_subset(name, count, ids, data) This function calls :cpp:func:`lammps_gather_atoms_subset` to gather the named atom-based entity for the atoms in the array *ids* from all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:func:`gather_atoms` or :f:func:`gather_atoms_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]; *ids* must be provided by the user, and *data* must be of rank 1 (i.e., ``DIMENSION(:)``) and have the ``ALLOCATABLE`` attribute. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms to be gathered :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1587: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms(name, data) This function calls :cpp:func:`lammps_scatter_atoms` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processors. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:func:`scatter_atoms_subset` to scatter data for some (or all) atoms, in any order. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length *natoms* or 3\*\ *natoms*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p data: per-atom values packed in a one-dimensional array containing the data to be scattered. This array must have length *natoms* (e.g., for *type* or *charge*) or length *natoms*\ :math:`{}\times 3` (e.g., for *x* or *f*). The array *data* must be rank 1 (i.e., ``DIMENSION(:)``) and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *x* or *charge* or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1618: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_atoms_subset` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processors. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array, *ids*. Use :f:func:`scatter_atoms` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of 1 or 3 values, depending on which quantity is being scattered, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57)], then *ids* would be [1, 100, 57] and *name* would be *x*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have either the same length as *ids* (for *mask*, *type*, etc.) or three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1652: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_bonds(data) Gather type and constituent atom information for all bonds. .. versionadded:: 3Nov2022 This function copies the list of all bonds into an allocatable array. The array will be filled with (bond type, bond atom 1, bond atom 2) for each bond. The array is allocated to the right length (i.e., three times the number of bonds). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM bonds USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: bonds INTEGER(c_int), DIMENSION(:,:), POINTER :: bonds_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create bonds, etc. CALL lmp%gather_bonds(bonds) bonds_array(1:3, 1:SIZE(bonds)/3) => bonds DO i = 1, SIZE(bonds)/3 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4)') 'bond', bonds_array(1,i), & '; type = ', bonds_array(2,i), bonds_array(3,i) END DO END PROGRAM bonds :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_bonds` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1697: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_angles(data) Gather type and constituent atom information for all angles. .. versionadded:: 8Feb2023 This function copies the list of all angles into an allocatable array. The array will be filled with (angle type, angle atom 1, angle atom 2, angle atom 3) for each angle. The array is allocated to the right length (i.e., four times the number of angles). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM angles USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: angles INTEGER(c_int), DIMENSION(:,:), POINTER :: angles_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create angles, etc. CALL lmp%gather_angles(angles) angles_array(1:4, 1:SIZE(angles)/4) => angles DO i = 1, SIZE(angles)/4 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4)') 'angle', angles_array(1,i), & '; type = ', angles_array(2,i), angles_array(3,i), angles_array(4,i) END DO END PROGRAM angles :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_angles` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1742: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, in order by atom ID. .. versionadded:: 22Dec2022 This subroutine gathers data from all processes and stores them in a one-dimensional allocatable array. The array *data* will be ordered by atom ID, which requires consecutive IDs (1 to *natoms*\ ). If you need a similar array but for non-consecutive atom IDs, see :cpp:func:`lammps_gather_concat`; for a similar array but for a subset of atoms, see :cpp:func:`lammps_gather_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x*, then *data* is [x(1,1), x(2,1), x(3,1), x(1,2), x(2,2), x(3,2), x(1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count*\ :math:`{}\times{}`\ *natoms*), as queried by :f:func:`get_natoms`. This function will return an error if fix or compute data are requested and the fix or compute ID given does not have per-atom data. See the note about re-interpreting the vector as a matrix at :f:subr:`gather_atoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values (e.g., 1 for *type* or *charge*, 3 for *x* or *f*); use *count* = 3 with *image* if you want the image flags unpacked into (*x*,\ *y*,\ *z*) components. :p real(c_double) data [dimension(:),allocatable]: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. :to: :cpp:func:`lammps_gather` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1784: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_dihedrals(data) Gather type and constituent atom information for all dihedrals. .. versionadded:: 8Feb2023 This function copies the list of all dihedrals into an allocatable array. The array will be filled with (dihedral type, dihedral atom 1, dihedral atom 2, dihedral atom 3, dihedral atom 4) for each dihedral. The array is allocated to the right length (i.e., five times the number of dihedrals). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM dihedrals USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: dihedrals INTEGER(c_int), DIMENSION(:,:), POINTER :: dihedrals_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create dihedrals, etc. CALL lmp%gather_dihedrals(dihedrals) dihedrals_array(1:5, 1:SIZE(dihedrals)/5) => dihedrals DO i = 1, SIZE(dihedrals)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'dihedral', dihedrals_array(1,i), & '; type = ', dihedrals_array(2,i), dihedrals_array(3,i), dihedrals_array(4,i), dihedrals_array(5,i) END DO END PROGRAM dihedrals :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_dihedrals` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1830: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_impropers(data) Gather type and constituent atom information for all impropers. .. versionadded:: 8Feb2023 This function copies the list of all impropers into an allocatable array. The array will be filled with (improper type, improper atom 1, improper atom 2, improper atom 3, improper atom 4) for each improper. The array is allocated to the right length (i.e., five times the number of impropers). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM impropers USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: impropers INTEGER(c_int), DIMENSION(:,:), POINTER :: impropers_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create impropers, etc. CALL lmp%gather_impropers(impropers) impropers_array(1:5, 1:SIZE(impropers)/5) => impropers DO i = 1, SIZE(impropers)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'improper', impropers_array(1,i), & '; type = ', impropers_array(2,i), impropers_array(3,i), impropers_array(4,i), impropers_array(5,i) END DO END PROGRAM impropers :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_impropers` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1876: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_concat(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, unordered. .. versionadded:: 22Dec2022 This subroutine gathers data for all atoms and stores them in a one-dimensional allocatable array. The data will be a concatenation of chunks from each processor's owned atoms, in whatever order the atoms are in on each processor. This process has no requirement that the atom IDs be consecutive. If you need the ID of each atom, you can do another call to either :f:subr:`gather_atoms_concat` or :f:subr:`gather_concat` with *name* set to ``id``. If you have consecutive IDs and want the data to be in order, use :f:subr:`gather`; for a similar array but for a subset of atoms, use :f:subr:`gather_subset`. The *data* array will be in groups of *count* values, with *natoms* groups total, but not in order by atom ID (e.g., if *name* is *x* and *count* is 3, then *data* might be something like [x(1,11), x(2,11), x(3,11), x(1,3), x(2,3), x(3,3), x(1,5), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1922: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_subset(name, count, ids, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes for a subset of atoms. .. versionadded:: 22Dec2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:subr:`gather` or :f:subr:`gather_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]); *ids* must be provided by the user, and *data* must have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If *data* is already allocated, it will be reallocated to fit the length of the incoming data. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: quantity to be scattered :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have the ``ALLOCATABLE`` attribute and will be allocated either to the same length as *ids* (for *mask*, *type*, etc.) or to three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter(name, data) This function calls :cpp:func:`lammps_scatter` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entity in *data* to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processes. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:subr:`scatter_subset` to scatter data for some (or all) atoms, unordered. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length (*count* :math:`\times` *natoms*). This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=*) name: desired quantity (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p data: per-atom values packed in a one-dimensional array; *data* should be of type ``INTEGER(c_int)`` or ``REAL(c_double)``, depending on the type of data being scattered, and be of rank 1 (i.e., ``DIMENSION(:)``). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2002: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_subset` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities in *data* from a subset of atoms to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processes. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array. Use :f:subr:`scatter` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of *count* values, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [x(1,1), x(2,1), x(3,1), x(1,100), x(2,100), x(3,100), x(1,57), x(2,57), x(3,57)], then *count* = 3 and *ids* = [1, 100, 57]. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) ids: list of atom IDs to scatter data for :p polymorphic data [dimension(:)]: per-atom values packed in a one-dimensional array of length *size(ids)* \* *count*. :to: :cpp:func:`lammps_scatter_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2035: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: create_atoms([id,] type, x, [v,] [image,] [bexpand]) This method calls :cpp:func:`lammps_create_atoms` to create additional atoms from a given list of coordinates and a list of atom types. Additionally, the atom IDs, velocities, and image flags may be provided. .. versionadded:: 3Nov2022 :p integer(c_int) type [dimension(N)]: vector of :math:`N` atom types (required/see note below) :p real(c_double) x [dimension(3N)]: vector of :math:`3N\ x/y/z` positions of the new atoms, arranged as :math:`[x_1,y_1,z_1,x_2,y_2,\dotsc]` (required/see note below) :o integer(kind=\*) id [dimension(N),optional]: vector of :math:`N` atom IDs; if absent, LAMMPS will generate them for you. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. :o real(c_double) v [dimension(3N),optional]: vector of :math:`3N` *x*\ /*y*\ /*z* velocities of the new atoms, arranged as :math:`[v_{1,x},v_{1,y},v_{1,z},v_{2,x}, \dotsc]`; if absent, they will be set to zero :o integer(kind=\*) image [dimension(N),optional]: vector of :math:`N` image flags; if absent, they are set to zero. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. See note below. :o bexpand: if ``.TRUE.``, atoms outside of shrink-wrap boundaries will be created, not dropped, and the box dimensions will be extended. Default is ``.FALSE.`` :otype bexpand: logical,optional :to: :cpp:func:`lammps_create_atoms` .. note:: The *type* and *x* arguments are required, but they are declared ``OPTIONAL`` in the module because making them mandatory would require *id* to be present as well. To have LAMMPS generate the ids for you, use a call something like .. code-block:: fortran lmp%create_atoms(type=new_types, x=new_xs) .. note:: When LAMMPS has been compiled with ``-DLAMMPS_BIGBIG``, it is not possible to include the *image* parameter but omit the *id* parameter. Either *id* must be present, or both *id* and *image* must be absent. This is required because having all arguments be optional in both generic functions creates an ambiguous interface. This limitation does not exist if LAMMPS was not compiled with ``-DLAMMPS_BIGBIG``. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2088: ERROR: Unknown directive type "f:function". .. f:function:: find_pair_neighlist(style[, exact][, nsub][, reqid]) Find index of a neighbor list requested by a pair style. .. versionadded:: 3Nov2022 This function determines which of the available neighbor lists for pair styles matches the given conditions. It first matches the style name. If *exact* is ``.TRUE.``, the name must match exactly; if ``.FALSE.``, a regular expression or sub-string match is done. If the pair style is *hybrid* or *hybrid/overlay*, the style is matched against the sub-styles instead. If the same pair style is used multiple times as a sub-style, the *nsub* argument must be :math:`> 0`; this argument represents the *n*\ th instance of the sub-style (same as for the :doc:`pair_coeff ` command, for example). In that case, *nsub*\ :math:`{} = 0` will not produce a match, and the function will return :math:`-1`. The final condition to be checked is the request ID (\ *reqid*\ ). This will usually be zero, but some pair styles request multiple neighbor lists and set the request ID to a value greater than zero. :p character(len=\*) style: String used to search for pair style instance. :o exact: Flag to control whether style should match exactly or only a regular expression/sub-string match is applied. Default: ``.TRUE.``. :otype exact: logical,optional :o integer(c_int) nsub [optional]: Match *nsub*\ th hybrid sub-style instance of the same style. Default: 0. :o integer(c_int) reqid [optional]: Request ID to identify the neighbor list in case there are multiple requests from the same pair style instance. Default: 0. :to: :cpp:func:`lammps_find_pair_neighlist` :r integer(c_int) index: Neighbor list index if found, otherwise :math:`-1`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2124: ERROR: Unknown directive type "f:function". .. f:function:: find_fix_neighlist(id[, reqid]) Find index of a neighbor list requested by a fix. .. versionadded:: 3Nov2022 The neighbor list request from a fix is identified by the fix ID and the request ID. The request ID is typically zero, but will be :math:`>0` for fixes with multiple neighbor list requests. :p character(len=\*) id: Identifier of fix instance :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same fix. Default: 0. :to: :cpp:func:`lammps_find_fix_neighlist` :r index: neighbor list index if found, otherwise :math:`-1` :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2144: ERROR: Unknown directive type "f:function". .. f:function:: find_compute_neighlist(id[, reqid]) Find index of a neighbor list requested by a compute. .. versionadded:: 3Nov2022 The neighbor list request from a compute is identified by the compute ID and the request ID. The request ID is typically zero, but will be :math:`> 0` in case a compute has multiple neighbor list requests. :p character(len=\*) id: Identifier of compute instance. :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same compute. Default: 0. :to: :cpp:func:`lammps_find_compute_neighlist` :r index: neighbor list index if found, otherwise :math:`-1`. :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2164: ERROR: Unknown directive type "f:function". .. f:function:: neighlist_num_elements(idx) Return the number of entries in the neighbor list with the given index. .. versionadded:: 3Nov2022 :p integer(c_int) idx: neighbor list index :to: :cpp:func:`lammps_neighlist_num_elements` :r inum: number of entries in neighbor list, or :math:`-1` if *idx* is not a valid index. :rtype inum: integer(c_int) :to: :cpp:func:`lammps_neighlist_num_elements` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2179: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: neighlist_element_neighbors(idx, element, iatom, neighbors) Return atom local index, number of neighbors, and array of neighbor local atom indices of a neighbor list entry. .. versionadded:: 3Nov2022 :p integer(c_int) idx: index of this neighbor list in the list of all neighbor lists :p integer(c_int) element: index of this neighbor list entry :p integer(c_int) iatom: local atom index (i.e., in the range [1,nlocal+nghost]; -1 if invalid or element value :p integer(c_int) neighbors [dimension(:),pointer]: pointer to an array of neighboring atom local indices :to: :cpp:func:`lammps_neighlist_element_neighbors` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2197: ERROR: Unknown directive type "f:function". .. f:function:: version() This method returns the numeric LAMMPS version like :cpp:func:`lammps_version` does. :to: :cpp:func:`lammps_version` :r version: LAMMPS version :rtype version: integer WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2208: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_os_info(buffer) This function can be used to retrieve detailed information about the hosting operating system and compiler/runtime environment. .. versionadded:: 3Nov2022 A suitable buffer has to be provided. The assembled text will be truncated so as not to overflow this buffer. The string is typically a few hundred bytes long. :p character(len=\*) buffer: string that will house the information. :to: :cpp:func:`lammps_get_os_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2225: ERROR: Unknown directive type "f:function". .. f:function:: config_has_mpi_support() This function is used to query whether LAMMPS was compiled with a real MPI library or in serial. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_config_has_mpi_support` :r has_mpi: ``.FALSE.`` when compiled with STUBS, ``.TRUE.`` if complied with MPI. :rtype has_mpi: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2239: ERROR: Unknown directive type "f:function". .. f:function:: config_has_gzip_support() Check if the LAMMPS library supports reading or writing compressed files via a pipe to gzip or similar compression programs. .. versionadded:: 3Nov2022 Several LAMMPS commands (e.g., :doc:`read_data`, :doc:`write_data`, :doc:`dump styles atom, custom, and xyz `) support reading and writing compressed files via creating a pipe to the ``gzip`` program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether ``gzip`` or any other supported compression programs themselves are installed and usable. :to: :cpp:func:`lammps_config_has_gzip_support` :r has_gzip: :rtype has_gzip: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2259: ERROR: Unknown directive type "f:function". .. f:function:: config_has_png_support() Check if the LAMMPS library supports writing PNG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `PNG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_png_support` :r has_png: :rtype has_png: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2278: ERROR: Unknown directive type "f:function". .. f:function:: config_has_jpeg_support() Check if the LAMMPS library supports writing JPEG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `JPEG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_jpeg_support` :r has_jpeg: :rtype has_jpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2296: ERROR: Unknown directive type "f:function". .. f:function:: config_has_ffmpeg_support() Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style movie ` supports generating movies from images on-the-fly via creating a pipe to the `ffmpeg `_ program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether the ``ffmpeg`` itself is installed and usable. :to: :cpp:func:`lammps_config_has_ffmpeg_support` :r has_ffmpeg: :rtype has_ffmpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2316: ERROR: Unknown directive type "f:function". .. f:function:: config_has_exceptions() Check whether LAMMPS errors will throw C++ exceptions. .. versionadded:: 3Nov2022 When using the library interface, the library interface functions will "catch" exceptions, and then the error status can be checked by calling :f:func:`has_error`. The most recent error message can be retrieved via :f:func:`get_last_error_message`. This allows to restart a calculation or delete and recreate the LAMMPS instance when a C++ exception occurs. One application of using exceptions this way is the :ref:`lammps_shell`. :to: :cpp:func:`lammps_config_has_exceptions` :r has_exceptions: :rtype has_exceptions: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2336: ERROR: Unknown directive type "f:function". .. f:function:: config_has_package(name) Check whether a specific package has been included in LAMMPS .. versionadded:: 3Nov2022 This function checks whether the LAMMPS library in use includes the specific :doc:`LAMMPS package ` provided as argument. :to: :cpp:func:`lammps_config_has_package` :r has_package: :rtype has_package: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2351: ERROR: Unknown directive type "f:function". .. f:function:: config_package_count() Count the number of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many :doc:`LAMMPS packages ` are included in the LAMMPS library in use. It directly calls the C library function :cpp:func:`lammps_config_package_count`. :to: :cpp:func:`lammps_config_package_count` :r integer(c_int) npackages: number of packages installed WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2366: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: config_package_name(idx, buffer) Get the name of a package in the list of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This subroutine copies the name of the package with the index *idx* into the provided string *buffer*. If the name of the package exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, *buffer* is set to an empty string. :p integer(c_int) idx: index of the package in the list of included packages :math:`(0 \le idx < \text{package count})` :p character(len=\*) buffer: string to hold the name of the package :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2385: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: installed_packages(package[, length]) Obtain a list of the names of enabled packages in the LAMMPS shared library and store it in *package*. .. versionadded:: 3Nov2022 This function is analogous to the :py:meth:`installed_packages ` function in the Python API. The optional argument *length* sets the length of each string in the vector *package* (default: 31). :p character(len=:) package [dimension(:),allocatable]: list of packages; *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``) with allocatable length. :o length: length of each string in the list. Default: 31. :otype length: integer,optional :to: :cpp:func:`lammps_config_package_count` :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2407: ERROR: Unknown directive type "f:function". .. f:function:: config_accelerator(package, category, setting) This function calls :cpp:func:`lammps_config_accelerator` to check the availability of compile time settings of included :doc:`accelerator packages ` in LAMMPS. .. versionadded:: 3Nov2022 Supported packages names are "GPU", "KOKKOS", "INTEL", and "OPENMP". Supported categories are "api" with possible settings "cuda", "hip", "phi", "pthreads", "opencl", "openmp", and "serial"; and "precision" with possible settings "double", "mixed", and "single". :p character(len=\*) package: string with the name of the accelerator package :p character(len=\*) category: string with the name of the setting :p character(len=\*) setting: string with the name of the specific setting :to: :cpp:func:`lammps_config_accelerator` :r available: ``.TRUE.`` if the combination of package, category, and setting is available, otherwise ``.FALSE.``. :rtype available: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2432: ERROR: Unknown directive type "f:function". .. f:function:: has_gpu_device() Checks for the presence of a viable GPU package device. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_gpu_device`, which checks at runtime whether an accelerator device is present that can be used with the :doc:`GPU package `. More detailed information about the available device or devices can be obtained by calling the :f:subr:`get_gpu_device_info` subroutine. :to: :cpp:func:`lammps_has_gpu_device` :r available: ``.TRUE.`` if a viable device is available, ``.FALSE.`` if not. :rtype available: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2452: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_gpu_device_info(buffer) Get GPU package device information. .. versionadded:: 3Nov2022 Calls :cpp:func:`lammps_get_gpu_device_info` to retrieve detailed information about any accelerator devices that are viable for use with the :doc:`GPU package `. It will fill *buffer* with a string that is equivalent to the output of the ``nvc_get_device`` or ``ocl_get_device`` or ``hip_get_device`` tools that are compiled alongside LAMMPS if the GPU package is enabled. A suitable-length Fortran string has to be provided. The assembled text will be truncated so as not to overflow this buffer. This string can be several kilobytes long if multiple devices are present. :p character(len=\*) buffer: string into which to copy the information. :to: :cpp:func:`lammps_get_gpu_device_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2474: ERROR: Unknown directive type "f:function". .. f:function:: has_style(category, name) Check whether a specific style has been included in LAMMPS. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_style` to check whether the LAMMPS library in use includes the specific style *name* associated with a specific *category* provided as arguments. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of the style :p character(len=\*) name: name of the style :to: :cpp:func:`lammps_has_style` :r has_style: ``.TRUE.`` if included, ``.FALSE.`` if not. :rtype has_style: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2493: ERROR: Unknown directive type "f:function". .. f:function:: style_count(category) Count the number of styles of *category* in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many styles in the provided *category* are included in the LAMMPS library currently in use. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of styles to count :to: :cpp:func:`lammps_style_count` :r integer(c_int) count: number of styles in *category* WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: style_name(category, idx, buffer) Look up the name of a style by index in the list of styles of a given category in the LAMMPS library. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_style_name` and copies the name of the *category* style with index *idx* into the provided string *buffer*. The length of *buffer* must be long enough to contain the name of the style; if it is too short, the name will be truncated accordingly. If *idx* is out of range, *buffer* will be the empty string and a warning will be issued. :p character(len=\*) category: category of styles :p integer(c_int) idx: index of the style in the list of *category* styles :math:`(1 \leq idx \leq \text{style count})` :p character(len\*) buffer: string buffer to copy the name of the style into :to: :cpp:func:`lammps_style_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2532: ERROR: Unknown directive type "f:function". .. f:function:: has_id(category, name) This function checks if the current LAMMPS instance a *category* ID of the given *name* exists. Valid categories are: *compute*\ , *dump*\ , *fix*\ , *group*\ , *molecule*\ , *region*\ , and *variable*\ . .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :p character(len=\*) name: name of the ID :to: :cpp:func:`lammps_has_id` :r has_id: ``.TRUE.`` if *category* style *name* exists, ``.FALSE.`` if not. :rtype has_id: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2548: ERROR: Unknown directive type "f:function". .. f:function:: id_count(category) This function counts how many IDs in the provided *category* are defined in the current LAMMPS instance. Please see :f:func:`has_id` for a list of valid categories. .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :to: :cpp:func:`lammps_id_count` :r count: number of IDs in *category* :rtype count: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2563: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: id_name(category, idx, buffer) Look up the name of an ID by index in the list of IDs of a given category. .. versionadded:: 3Nov2022 This function copies the name of the *category* ID with the index *idx* into the provided string *buffer*\ . The length of the buffer must be long enough to hold the string; if the name of the style exceeds the length of the buffer, it will be truncated accordingly. If *buffer* is ``ALLOCATABLE``, it must be allocated *before* the function is called. If *idx* is out of range, *buffer* is set to an empty string and a warning is issued. :p character(len=\*) category: category of IDs :p integer(c_int) idx: index of the ID in the list of *category* styles (:math:`0 \leq idx < count`) :p character(len=\*) buffer: string into which to copy the name of the style :to: :cpp:func:`lammps_id_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2586: ERROR: Unknown directive type "f:function". .. f:function:: plugin_count() This function counts the number of loaded plugins. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_plugin_count` :r n: number of loaded plugins :rtype n: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2598: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: plugin_name(idx, stylebuf, namebuf) Look up the style and name of a plugin by its index in the list of plugins. .. versionadded:: 3Nov2022 This function copies the name of the *style* plugin with the index *idx* into the provided C-style string buffer. The length of the buffer must be provided as *buf_size* argument. If the name of the style exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, both strings are set to the empty string and a warning is printed. :p integer(c_int) idx: index of the plugin in the list all or *style* plugins :p character(len=\*) stylebuf: string into which to copy the style of the plugin :p character(len=\*) namebuf: string into which to copy the style of the plugin :to: :cpp:func:`lammps_plugin_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2621: ERROR: Unknown directive type "f:function". .. f:function:: encode_image_flags(ix, iy, iz) Encodes three integer image flags into a single imageint. .. versionadded:: 3Nov2022 This function performs the bit-shift, addition, and bit-wise OR operations necessary to combine the values of three integers representing the image flags in the :math:`x`-, :math:`y`-, and :math:`z`-directions. Unless LAMMPS is compiled with ``-DLAMMPS_BIGBIG``, those integers are limited to 10-bit signed integers :math:`[-512,512)`. If ``-DLAMMPS_BIGBIG`` was used when compiling, then the return value is of kind ``c_int64_t`` instead of kind ``c_int``, and the valid range for the individual image flags becomes :math:`[-1048576,1048575)` (i.e., the range of a 21-bit signed integer). There is no check on whether the arguments conform to these requirements; values out of range will simply be wrapped back into the interval. :p integer(c_int) ix: image flag in :math:`x`-direction :p integer(c_int) iy: image flag in :math:`y`-direction :p integer(c_int) iz: image flag in :math:`z`-direction :r integer(kind=\*) imageint: encoded image flag. \*The ``KIND`` parameter is ``c_int`` unless LAMMPS was built with ``-DLAMMPS_BIGBIG``, in which case it is ``c_int64_t``. .. note:: The fact that the programmer does not know the ``KIND`` parameter of the return value until compile time means that it is impossible to define an interface that works for both sizes of ``imageint``. One side effect of this is that you must assign the return value of this function to a variable; it cannot be used as the argument to another function or as part of an array constructor. For example, .. code-block:: fortran my_images = [lmp%encode_image_flags(0,0,0), lmp%encode_image_flags(1,0,0)] will *not* work; instead, do something like .. code-block:: fortran my_images(1) = lmp%encode_image_flags(0,0,0) my_images(2) = lmp%encode_image_flags(1,0,0) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2667: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: decode_image_flags(image, flags) This function does the reverse operation of :f:func:`encode_image_flags`: it takes the image flag and performs the bit-shift and bit-masking operations to decode it and stores the resulting three integers into the array *flags*. .. versionadded:: 3Nov2022 :p integer(kind=\*) image: encoded image flag. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, ``c_int64_t``. Kind compatibility is checked at run-time. :p integer(c_int) flags [dimension(3)]: three-element vector where the decoded image flags will be stored. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2684: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_callback(id, callback, caller) Set the callback function for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interface to modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This subroutine sets the callback function for use with the "pf/callback" mode. The function should have Fortran language bindings with the following interface, which depends on how LAMMPS was compiled: .. code-block:: fortran ABSTRACT INTERFACE SUBROUTINE external_callback(caller, timestep, ids, x, fexternal) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t CLASS(*), INTENT(INOUT) :: caller INTEGER(c_bigint), INTENT(IN) :: timestep INTEGER(c_tagint), DIMENSION(:), INTENT(IN) :: ids REAL(c_double), DIMENSION(:,:), INTENT(IN) :: x REAL(c_double), DIMENSION(:,:), INTENT(OUT) :: fexternal END SUBROUTINE external_callback END INTERFACE where ``c_bigint`` is ``c_int`` if ``-DLAMMPS_SMALLSMALL`` was used and ``c_int64_t`` otherwise; and ``c_tagint`` is ``c_int64_t`` if ``-DLAMMPS_BIGBIG`` was used and ``c_int`` otherwise. The argument *caller* to :f:subr:`set_fix_external_callback` is unlimited polymorphic (i.e., it can be any Fortran object you want to pass to the calling function) and will be available as the first argument to the callback function. It can be your LAMMPS instance, which you might need if the callback function needs access to the library interface. The argument must be a scalar; to pass non-scalar data, wrap those data in a derived type and pass an instance of the derived type to *caller*. The array *ids* is an array of length *nlocal* (as accessed from the :cpp:class:`Atom` class or through :f:func:`extract_global`). The arrays *x* and *fexternal* are :math:`3 \times {}`\ *nlocal* arrays; these are transposed from what they would look like in C (see note about array index order at :f:func:`extract_atom`). The callback mechanism is one of two ways that forces can be applied to a simulation with the help of :doc:`fix external `. The alternative is *array* mode, where one calls :f:func:`fix_external_get_force`. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and couple it with external programs. :p character(len=*) id: ID of :doc:`fix external ` instance :p callback: subroutine :doc:`fix external ` should call :ptype callback: external :p class(*) caller [optional]: object you wish to pass to the callback procedure (must be a scalar; see note) :to: :cpp:func:`lammps_set_fix_external_callback` .. note:: The interface for your callback function must match types precisely with the abstract interface block given above. **The compiler probably will not be able to check this for you.** In particular, the first argument ("caller") must be of type ``CLASS(*)`` or you will probably get a segmentation fault or at least a misinterpretation of whatever is in memory there. You can resolve the object using the ``SELECT TYPE`` construct. An example callback function (assuming LAMMPS was compiled with ``-DLAMMPS_SMALLBIG``) that applies something akin to Hooke's Law (with each atom having a different *k* value) is shown below. .. code-block:: fortran MODULE stuff USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : error_unit IMPLICIT NONE TYPE shield REAL(c_double), DIMENSION(:,:), ALLOCATABLE :: k ! assume k gets allocated to dimension(3,nlocal) at some point ! and assigned values END TYPE shield SUBROUTINE my_callback(caller, timestep, ids, x, fexternal) CLASS(*), INTENT(INOUT) :: caller INTEGER(c_int), INTENT(IN) :: timestep INTEGER(c_int64_t), INTENT(IN) :: ids REAL(c_double), INTENT(IN) :: x(:,:) REAL(c_double), INTENT(OUT) :: fexternal(:,:) SELECT TYPE (caller) TYPE IS (shield) fexternal = - caller%k * x CLASS DEFAULT WRITE(error_unit,*) 'UH OH...' END SELECT END SUBROUTINE my_callback END MODULE stuff ! then, when assigning the callback function, do this: PROGRAM example USE LIBLAMMPS USE stuff TYPE(lammps) :: lmp TYPE(shield) :: my_shield lmp = lammps() CALL lmp%command('fix ext all external pf/callback 1 1') CALL lmp%set_fix_external_callback('ext', my_callback, my_shield) END PROGRAM example WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2800: ERROR: Unknown directive type "f:function". .. f:function:: fix_external_get_force(id) Get pointer to the force array storage in a fix external instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interfaces to add or modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This function provides access to the per-atom force storage in a fix external instance with the given fix-ID to be added to the individual atoms when using the "pf/array" mode. The *fexternal* array can be accessed like other "native" per-atom arrays accessible via the :f:func:`extract_atom` function. Please note that the array stores the forces for *local* atoms for each MPI rank, in the order determined by the neighbor list build. Because the underlying data structures can change as well as the order of atom as they migrate between MPI processes because of the domain decomposition parallelization, this function should be always called immediately before the forces are going to be set to get an up-to-date pointer. You can use, for example, :f:func:`extract_setting` to obtain the number of local atoms `nlocal` and then assume the dimensions of the returned force array as ``REAL(c_double) :: force(3,nlocal)``. This function is an alternative to the callback mechanism in fix external set up by :f:subr:`set_fix_external_callback`. The main difference is that this mechanism can be used when forces are to be pre-computed and the control alternates between LAMMPS and the external driver, while the callback mechanism can call an external subroutine to compute the force when the fix is triggered and needs them. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: ID of :doc:`fix external ` instance :to: :cpp:func:`lammps_fix_external_get_force` :r fexternal: pointer to the per-atom force array allocated by the fix :rtype fexternal: real(c_double),dimension(3,nlocal) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2844: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_global(id, eng) Set the global energy contribution for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:func:`set_fix_external_callback` and :f:func:`fix_external_get_force` that also sets the contribution to the global energy from the external program. The value of the *eng* argument will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The energy is in energy units as determined by the current :doc:`units ` settings and is the **total** energy of the contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will be returned as a scalar property of the fix external instance when accessed in LAMMPS input commands or from variables. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) eng: total energy to be added to the global energy :to: :cpp:func:`lammps_fix_external_set_energy_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2872: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_virial_global(id, virial) Set the global virial contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the contribution to the global virial from an external program. The six values of the *virial* array will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The components of the virial need to be stored in the following order: *xx*, *yy*, *zz*, *xy*, *xz*, *yz*. In LAMMPS, the virial is stored internally as `stress*volume` in units of `pressure*volume` as determined by the current :doc:`units ` settings and is the **total** contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will then be added by fix external. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(6)]: the six global stress tensor components to be added to the global virial :to: :cpp:func:`lammps_fix_external_set_virial_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2904: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_peratom(id, eng) Set the per-atom energy contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom energy contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as part of the *caller* argument when registering the callback function, or the callback function must otherwise have access to the LAMMPS object, such as through a module-based pointer. .. note:: This function is fully independent from :f:subr:`fix_external_set_energy_global` and will **NOT** add any contributions to the global energy tally and will **NOT** check whether the sum of the contributions added here are consistent with the global added energy. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of the fix external instance :p real(c_double) eng [dimension(:)]: array of length *nlocal* containing the energy to add to the per-atom energy :to: :cpp:func:`lammps_fix_external_set_energy_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2937: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_set_virial_peratom(id, virial) This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom virial contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as the *caller* argument when registering the callback function. .. versionadded:: 22Dec2022 .. note:: This function is fully independent from :f:subr:`fix_external_set_virial_global` and will **NOT** add any contributions to the global virial tally and **NOT** check whether the sum of the contributions added here are consistent with the global added virial. The order and units of the per-atom stress tensor elements are the same as for the global virial. The type and dimensions of the per-atom virial array must be ``REAL(c_double), DIMENSION(6,nlocal)``. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(:,:)]: an array of :math:`6 \times{}`\ *nlocal* components to be added to the per-atom virial :to: :cpp:func:`lammps_set_virial_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector_length(id, length) Set the vector length for a global vector stored with fix external for analysis. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the length of a global vector of properties that will be stored with the fix via :f:subr:`fix_external_set_vector`. This function needs to be called **before** a call to :f:subr:`fix_external_set_vector` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the same length argument. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p integer(c_int) length: length of the global vector to be stored with the fix :to: :cpp:func:`lammps_fix_external_set_vector_length` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2997: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector(id, idx, val) Store a global vector value for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the values of a global vector of properties that will be stored with the fix and can be accessed from within LAMMPS input commands (e.g., fix ave/time or variables) when used in a vector context. This function needs to be called **after** a call to :f:subr:`fix_external_set_vector_length` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the **same** *idx* and *val* parameters. The variable *val* is assumed to be extensive. .. note:: The index in the *idx* parameter is 1-based (i.e., the first element is set with *idx*\ :math:`{} = 1`, and the last element of the vector with *idx*\ :math:`{} = N`, where :math:`N` is the value of the *length* parameter of the call to :f:subr:`fix_external_set_vector_length`). Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: ID of fix external instance :p integer(c_int) idx: 1-based index in global vector :p integer(c_int) val: value to be stored in global vector at index *idx* :to: :cpp:func:`lammps_fix_external_set_vector` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3033: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: flush_buffers() This function calls :cpp:func:`lammps_flush_buffers`, which flushes buffered output to be written to screen and logfile. This can simplify capturing output from LAMMPS library calls. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_flush_buffers` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3045: ERROR: Unknown directive type "f:function". .. f:function:: is_running() Check if LAMMPS is currently inside a run or minimization. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to determine if the LAMMPS instance is currently active. :to: :cpp:func:`lammps_is_running` :r is_running: ``.FALSE.`` if idle or ``.TRUE.`` if active :rtype is_running: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3060: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: force_timeout() Force a timeout to stop an ongoing run cleanly. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to terminate an ongoing run cleanly. :to: :cpp:func:`lammps_force_timeout` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3073: ERROR: Unknown directive type "f:function". .. f:function:: has_error() Check if there is a (new) error message available. .. versionadded:: 3Nov2022 This function can be used to query if an error inside of LAMMPS has thrown a :ref:`C++ exception `. :to: :cpp:func:`lammps_has_error` :r has_error: ``.TRUE.`` if there is an error. :rtype has_error: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3088: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_last_error_message(buffer[,status]) Copy the last error message into the provided buffer. .. versionadded:: 3Nov2022 This function can be used to retrieve the error message that was set in the event of an error inside of LAMMPS that resulted in a :ref:`C++ exception `. A suitable buffer for a string has to be provided. If the internally-stored error message is longer than the string, it will be truncated accordingly. The optional argument *status* indicates the kind of error: a "1" indicates an error that occurred on all MPI ranks and is often recoverable, while a "2" indicates an abort that would happen only in a single MPI rank and thus may not be recoverable, as other MPI ranks may be waiting on the failing MPI rank(s) to send messages. :p character(len=\*) buffer: string buffer to copy the error message into :o integer(c_int) status [optional]: 1 when all ranks had the error, 2 on a single-rank error. :to: :cpp:func:`lammps_get_last_error_message` looking for now-outdated files... none found pickling environment... done checking consistency... /<>/doc/src/angle_coeff.rst: document is referenced in multiple toctrees: ['commands_list', 'angles'], selecting: commands_list <- angle_coeff /<>/doc/src/angle_style.rst: document is referenced in multiple toctrees: ['commands_list', 'angles'], selecting: commands_list <- angle_style /<>/doc/src/angle_write.rst: document is referenced in multiple toctrees: ['commands_list', 'angles'], selecting: commands_list <- angle_write /<>/doc/src/bond_coeff.rst: document is referenced in multiple toctrees: ['bonds', 'commands_list'], selecting: commands_list <- bond_coeff /<>/doc/src/bond_style.rst: document is referenced in multiple toctrees: ['bonds', 'commands_list'], selecting: commands_list <- bond_style /<>/doc/src/bond_write.rst: document is referenced in multiple toctrees: ['bonds', 'commands_list'], selecting: commands_list <- bond_write /<>/doc/src/compute_modify.rst: document is referenced in multiple toctrees: ['computes', 'commands_list'], selecting: computes <- compute_modify /<>/doc/src/dihedral_coeff.rst: document is referenced in multiple toctrees: ['dihedrals', 'commands_list'], selecting: dihedrals <- dihedral_coeff /<>/doc/src/dihedral_style.rst: document is referenced in multiple toctrees: ['dihedrals', 'commands_list'], selecting: dihedrals <- dihedral_style /<>/doc/src/dihedral_write.rst: document is referenced in multiple toctrees: ['dihedrals', 'commands_list'], selecting: dihedrals <- dihedral_write /<>/doc/src/dump.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump /<>/doc/src/dump_adios.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_adios /<>/doc/src/dump_cfg_uef.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_cfg_uef /<>/doc/src/dump_h5md.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_h5md /<>/doc/src/dump_image.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_image /<>/doc/src/dump_modify.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_modify /<>/doc/src/dump_molfile.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_molfile /<>/doc/src/dump_netcdf.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_netcdf /<>/doc/src/dump_vtk.rst: document is referenced in multiple toctrees: ['dumps', 'commands_list'], selecting: dumps <- dump_vtk /<>/doc/src/fix_modify.rst: document is referenced in multiple toctrees: ['fixes', 'commands_list'], selecting: fixes <- fix_modify /<>/doc/src/fix_modify_atc_commands.rst: document is referenced in multiple toctrees: ['Manual', 'fixes'], selecting: fixes <- fix_modify_atc_commands /<>/doc/src/improper_coeff.rst: document is referenced in multiple toctrees: ['impropers', 'commands_list'], selecting: impropers <- improper_coeff /<>/doc/src/improper_style.rst: document is referenced in multiple toctrees: ['impropers', 'commands_list'], selecting: impropers <- improper_style /<>/doc/src/pair_coeff.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_coeff /<>/doc/src/pair_modify.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_modify /<>/doc/src/pair_style.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_style /<>/doc/src/pair_write.rst: document is referenced in multiple toctrees: ['pairs', 'commands_list'], selecting: pairs <- pair_write done preparing documents... done copying assets... copying static files... done copying extra files... done copying assets: done writing output... [ 50%] Library writing output... [100%] Manual generating indices... genindex py-modindex done writing additional pages... search done dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 196 warnings. The HTML pages are in html. ############################################ env: ‘rst_anchor_check’: No such file or directory Found 89 packages Parsed style names w/o suffixes from C++ tree in ../src: Angle styles: 26 Atom styles: 28 Body styles: 3 Bond styles: 25 Command styles: 51 Compute styles: 169 Dihedral styles: 17 Dump styles: 34 Fix styles: 265 Improper styles: 14 Integrate styles: 4 Kspace styles: 21 Minimize styles: 9 Pair styles: 287 Reader styles: 4 Region styles: 9 ---------------------------------------------------- Total number of styles (including suffixes): 1784 Total number of style index entries: 1278 ############################################ Build finished. The HTML pages are in doc/html. make[2]: Leaving directory '/<>/doc' make[1]: Leaving directory '/<>' debian/rules override_dh_auto_test-arch make[1]: Entering directory '/<>' mkdir test; cp examples/crack/* test/ cd test; /<>/debian/build/lmp < in.crack LAMMPS (7 Feb 2024 - Update 1) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 1.1142771 1.9299846 1.1142771 Created orthogonal box = (0 0 -0.27856928) to (111.42771 77.199383 0.27856928) 1 by 1 by 1 MPI processor grid Created 8141 atoms using lattice units in orthogonal box = (-0.011142771 -0.0077199383 -0.27856928) to (111.43885 77.207103 0.27856928) create_atoms CPU = 0.002 seconds 302 atoms in group lower 302 atoms in group upper 604 atoms in group boundary 7537 atoms in group mobile 841 atoms in group leftupper 841 atoms in group leftlower Setting atom values ... 841 settings made for type Setting atom values ... 841 settings made for type Setting atom values ... 302 settings made for type Setting atom values ... 302 settings made for type WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) Generated 0 of 10 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 5 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 2.8 ghost atom cutoff = 2.8 binsize = 1.4, bins = 80 56 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d bin: standard Setting up Verlet run ... Unit style : lj Current step : 0 Time step : 0.003 Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 0.065651733 -3.2595015 0 -3.1987287 -0.036239172 8605.5917 200 0.060086376 -3.2531936 0 -3.1975725 -0.23125026 8638.8101 400 0.060533553 -3.2509973 0 -3.1949623 -0.4305406 8679.2464 600 0.06082965 -3.2466949 0 -3.1903858 -0.6028531 8716.7569 800 0.061677224 -3.2413215 0 -3.1842278 -0.7482749 8756.226 1000 0.062383731 -3.2349273 0 -3.1771796 -0.87425132 8793.1116 1200 0.063709246 -3.2276094 0 -3.1686347 -0.98020161 8828.8863 1400 0.065404552 -3.2196608 0 -3.1591168 -1.0695384 8866.4893 1600 0.067579602 -3.2110378 0 -3.1484804 -1.1456387 8900.6772 1800 0.069324241 -3.2018536 0 -3.1376812 -1.2020999 8933.017 2000 0.071014927 -3.1921108 0 -3.1263733 -1.2430105 8963.9853 2200 0.072992881 -3.1818701 0 -3.1143017 -1.2701297 9004.4136 2400 0.075000723 -3.1712313 0 -3.1018043 -1.2830866 9034.9991 2600 0.076843477 -3.1601004 0 -3.0889675 -1.27924 9072.1325 2800 0.078671706 -3.1487747 0 -3.0759495 -1.2659604 9103.9526 3000 0.080713586 -3.1373277 0 -3.0626123 -1.2440673 9134.552 3200 0.08309469 -3.1260242 0 -3.0491047 -1.214547 9169.0003 3400 0.085424766 -3.1146623 0 -3.0355859 -1.1839326 9206.909 3600 0.087396485 -3.1029493 0 -3.0220477 -1.143412 9233.783 3800 0.089007987 -3.090822 0 -3.0084286 -1.1000791 9259.0348 4000 0.089813071 -3.0794078 0 -2.9962692 -1.062847 9281.82 4200 0.08584753 -3.0668559 0 -2.9873882 -1.037972 9308.8113 4400 0.086197517 -3.0559678 0 -2.9761761 -1.028843 9328.9666 4600 0.086766447 -3.0437627 0 -2.9634443 -1.0208785 9361.9925 4800 0.088195149 -3.0328502 0 -2.9512093 -1.0272063 9395.6122 5000 0.089415266 -3.0228825 0 -2.9401122 -1.0215336 9436.1637 Loop time of 4.94264 on 1 procs for 5000 steps with 8141 atoms Performance: 262208.235 tau/day, 1011.606 timesteps/s, 8.235 Matom-step/s 100.0% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 4.2015 | 4.2015 | 4.2015 | 0.0 | 85.01 Neigh | 0.19764 | 0.19764 | 0.19764 | 0.0 | 4.00 Comm | 0.0034474 | 0.0034474 | 0.0034474 | 0.0 | 0.07 Output | 0.0011926 | 0.0011926 | 0.0011926 | 0.0 | 0.02 Modify | 0.41862 | 0.41862 | 0.41862 | 0.0 | 8.47 Other | | 0.1202 | | | 2.43 Nlocal: 8141 ave 8141 max 8141 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 71389 ave 71389 max 71389 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 71389 Ave neighs/atom = 8.7690701 Neighbor list builds = 100 Dangerous builds = 0 Total wall time: 0:00:04 rm -rf test mkdir test; cp examples/crack/* test/ cd test; mpirun -np 2 --allow-run-as-root --oversubscribe /<>/debian/build/lmp < in.crack LAMMPS (7 Feb 2024 - Update 1) WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 1.1142771 1.9299846 1.1142771 Created orthogonal box = (0 0 -0.27856928) to (111.42771 77.199383 0.27856928) 2 by 1 by 1 MPI processor grid Created 8141 atoms using lattice units in orthogonal box = (-0.011142771 -0.0077199383 -0.27856928) to (111.43885 77.207103 0.27856928) create_atoms CPU = 0.002 seconds 302 atoms in group lower 302 atoms in group upper 604 atoms in group boundary 7537 atoms in group mobile 841 atoms in group leftupper 841 atoms in group leftlower Setting atom values ... 841 settings made for type Setting atom values ... 841 settings made for type Setting atom values ... 302 settings made for type Setting atom values ... 302 settings made for type WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) Generated 0 of 10 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 5 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 2.8 ghost atom cutoff = 2.8 binsize = 1.4, bins = 80 56 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d bin: standard Setting up Verlet run ... Unit style : lj Current step : 0 Time step : 0.003 Per MPI rank memory allocation (min/avg/max) = 3.097 | 3.097 | 3.097 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 0.065993465 -3.2595015 0 -3.1984123 -0.035939913 8605.5917 200 0.060035253 -3.2531886 0 -3.1976149 -0.22757684 8638.5331 400 0.06054278 -3.2510706 0 -3.1950271 -0.42811733 8677.8288 600 0.060576995 -3.246816 0 -3.1907408 -0.60017647 8717.6131 800 0.060802753 -3.2413477 0 -3.1850635 -0.74499308 8756.4512 1000 0.061812114 -3.2349942 0 -3.1777756 -0.87130079 8796.9575 1200 0.06317147 -3.2277552 0 -3.1692783 -0.98010628 8823.1488 1400 0.065125405 -3.2198031 0 -3.1595175 -1.0690179 8858.8358 1600 0.06725411 -3.2111272 0 -3.148871 -1.1440993 8892.6607 1800 0.069389572 -3.2019689 0 -3.137736 -1.199078 8933.7591 2000 0.071276448 -3.1921621 0 -3.1261826 -1.239553 8969.0463 2200 0.073243486 -3.1818809 0 -3.1140805 -1.264839 8997.6559 2400 0.075063494 -3.1711703 0 -3.1016851 -1.2772278 9038.4932 2600 0.076789207 -3.1600658 0 -3.0889832 -1.2754953 9073.4997 2800 0.07875979 -3.1487143 0 -3.0758075 -1.2637926 9106.2245 3000 0.080591853 -3.1372361 0 -3.0626334 -1.2388824 9142.7862 3200 0.08227693 -3.125423 0 -3.0492605 -1.2055283 9169.4322 3400 0.084289444 -3.1136554 0 -3.03563 -1.1672422 9204.8205 3600 0.086720297 -3.1021183 0 -3.0218427 -1.126381 9233.2656 3800 0.089264018 -3.0909262 0 -3.0082959 -1.0899774 9265.4143 4000 0.091377688 -3.0795096 0 -2.9949227 -1.0580229 9297.6799 4200 0.092665135 -3.0678736 0 -2.9820949 -1.0390124 9331.6135 4400 0.09055434 -3.0560482 0 -2.9722234 -1.0323741 9362.2075 4600 0.088763719 -3.0446018 0 -2.9624346 -1.027693 9391.6949 4800 0.089467982 -3.0337452 0 -2.950926 -1.0232092 9427.4155 5000 0.089910902 -3.0237571 0 -2.9405279 -1.0174796 9452.031 Loop time of 2.66761 on 2 procs for 5000 steps with 8141 atoms Performance: 485828.656 tau/day, 1874.339 timesteps/s, 15.259 Matom-step/s 99.1% CPU use with 2 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.109 | 2.1178 | 2.1267 | 0.6 | 79.39 Neigh | 0.10374 | 0.10846 | 0.11318 | 1.4 | 4.07 Comm | 0.1394 | 0.15459 | 0.16978 | 3.9 | 5.80 Output | 0.00087796 | 0.0011891 | 0.0015002 | 0.9 | 0.04 Modify | 0.21023 | 0.21068 | 0.21114 | 0.1 | 7.90 Other | | 0.07485 | | | 2.81 Nlocal: 4070.5 ave 4085 max 4056 min Histogram: 1 0 0 0 0 0 0 0 0 1 Nghost: 207 ave 208 max 206 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 35700 ave 35927 max 35473 min Histogram: 1 0 0 0 0 0 0 0 0 1 Total # of neighbors = 71400 Ave neighs/atom = 8.7704213 Neighbor list builds = 106 Dangerous builds = 0 Total wall time: 0:00:02 rm -rf test make[1]: Leaving directory '/<>' dh_auto_test -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build -Nlammps -Nliblammps-dev -Nliblammps0t64 -Npython3-lammps create-stamp debian/debhelper-build-stamp dh_testroot -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_prep -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_auto_install -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build -Nlammps-doc -Nlammps-data -Nlammps-examples cd debian/build && make -j4 install DESTDIR=/<>/lammps-20240207\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/<>/debian/build' /usr/bin/cmake -P /<>/debian/build/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/<>/cmake -B/<>/debian/build --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[2]: Entering directory '/<>/debian/build' make[2]: Nothing to be done for 'preinstall'. make[2]: Leaving directory '/<>/debian/build' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /<>/debian/tmp/usr/bin/lmp -- Set non-toolchain portion of runtime path of "/<>/debian/tmp/usr/bin/lmp" to "" -- Installing: /<>/debian/tmp/usr/include/lammps/angle.h -- Installing: /<>/debian/tmp/usr/include/lammps/atom.h -- Installing: /<>/debian/tmp/usr/include/lammps/bond.h -- Installing: /<>/debian/tmp/usr/include/lammps/citeme.h -- Installing: /<>/debian/tmp/usr/include/lammps/comm.h -- Installing: /<>/debian/tmp/usr/include/lammps/command.h -- Installing: /<>/debian/tmp/usr/include/lammps/compute.h -- Installing: /<>/debian/tmp/usr/include/lammps/dihedral.h -- Installing: /<>/debian/tmp/usr/include/lammps/domain.h -- Installing: /<>/debian/tmp/usr/include/lammps/error.h -- Installing: /<>/debian/tmp/usr/include/lammps/exceptions.h -- Installing: /<>/debian/tmp/usr/include/lammps/fix.h -- Installing: /<>/debian/tmp/usr/include/lammps/force.h -- Installing: /<>/debian/tmp/usr/include/lammps/group.h -- Installing: /<>/debian/tmp/usr/include/lammps/improper.h -- Installing: /<>/debian/tmp/usr/include/lammps/input.h -- Installing: /<>/debian/tmp/usr/include/lammps/info.h -- Installing: /<>/debian/tmp/usr/include/lammps/kspace.h -- Installing: /<>/debian/tmp/usr/include/lammps/lammps.h -- Installing: /<>/debian/tmp/usr/include/lammps/lattice.h -- Installing: /<>/debian/tmp/usr/include/lammps/library.h -- Installing: /<>/debian/tmp/usr/include/lammps/lmppython.h -- Installing: /<>/debian/tmp/usr/include/lammps/lmptype.h -- Installing: /<>/debian/tmp/usr/include/lammps/memory.h -- Installing: /<>/debian/tmp/usr/include/lammps/modify.h -- Installing: /<>/debian/tmp/usr/include/lammps/neighbor.h -- Installing: /<>/debian/tmp/usr/include/lammps/neigh_list.h -- Installing: /<>/debian/tmp/usr/include/lammps/output.h -- Installing: /<>/debian/tmp/usr/include/lammps/pair.h -- Installing: /<>/debian/tmp/usr/include/lammps/platform.h -- Installing: /<>/debian/tmp/usr/include/lammps/pointers.h -- Installing: /<>/debian/tmp/usr/include/lammps/region.h -- Installing: /<>/debian/tmp/usr/include/lammps/timer.h -- Installing: /<>/debian/tmp/usr/include/lammps/universe.h -- Installing: /<>/debian/tmp/usr/include/lammps/update.h -- Installing: /<>/debian/tmp/usr/include/lammps/utils.h -- Installing: /<>/debian/tmp/usr/include/lammps/variable.h -- Installing: /<>/debian/tmp/usr/include/lammps/fmt/core.h -- Installing: /<>/debian/tmp/usr/include/lammps/fmt/format.h -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/liblammps.so.0 -- Set non-toolchain portion of runtime path of "/<>/debian/tmp/usr/lib/aarch64-linux-gnu/liblammps.so.0" to "" -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/liblammps.so -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig/liblammps.pc -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/cmake/LAMMPS/LAMMPS_Targets.cmake -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/cmake/LAMMPS/LAMMPS_Targets-none.cmake -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/cmake/LAMMPS/LAMMPSConfig.cmake -- Installing: /<>/debian/tmp/usr/lib/aarch64-linux-gnu/cmake/LAMMPS/LAMMPSConfigVersion.cmake -- Installing: /<>/debian/tmp/usr/share/man/man1/lmp.1 -- Installing: /<>/debian/tmp/etc/profile.d/lammps.sh -- Installing: /<>/debian/tmp/etc/profile.d/lammps.csh make[1]: Leaving directory '/<>/debian/build' debian/rules execute_after_dh_auto_install-arch make[1]: Entering directory '/<>' LD_LIBRARY_PATH=/<>/debian/tmp/usr/lib/aarch64-linux-gnu \ CMAKE_PREFIX_PATH=/<>/debian/tmp/usr/lib/aarch64-linux-gnu/cmake \ pybuild --dir=/<>/python --system=pyproject --name=lammps I: pybuild plugin_pyproject:129: Building wheel for python3.13 with "build" module I: pybuild base:311: python3.13 -m build --skip-dependency-check --no-isolation --wheel --outdir /<>/.pybuild/cpython3_3.13_lammps * Building wheel... running bdist_wheel running build running build_py creating build/lib/lammps copying lammps/numpy_wrapper.py -> build/lib/lammps copying lammps/constants.py -> build/lib/lammps copying lammps/core.py -> build/lib/lammps copying lammps/formats.py -> build/lib/lammps copying lammps/pylammps.py -> build/lib/lammps copying lammps/__init__.py -> build/lib/lammps copying lammps/data.py -> build/lib/lammps creating build/lib/lammps/mliap copying lammps/mliap/pytorch.py -> build/lib/lammps/mliap copying lammps/mliap/mliap_unified_lj.py -> build/lib/lammps/mliap copying lammps/mliap/loader.py -> build/lib/lammps/mliap copying lammps/mliap/__init__.py -> build/lib/lammps/mliap copying lammps/mliap/mliap_unified_abc.py -> build/lib/lammps/mliap installing to build/bdist.linux-aarch64/wheel running install running install_lib creating build/bdist.linux-aarch64/wheel creating build/bdist.linux-aarch64/wheel/lammps copying build/lib/lammps/numpy_wrapper.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/constants.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/core.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/formats.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/pylammps.py -> build/bdist.linux-aarch64/wheel/./lammps creating build/bdist.linux-aarch64/wheel/lammps/mliap copying build/lib/lammps/mliap/pytorch.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/mliap_unified_lj.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/loader.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/__init__.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/mliap_unified_abc.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/__init__.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/data.py -> build/bdist.linux-aarch64/wheel/./lammps running install_egg_info running egg_info creating lammps.egg-info writing lammps.egg-info/PKG-INFO writing dependency_links to lammps.egg-info/dependency_links.txt writing top-level names to lammps.egg-info/top_level.txt writing manifest file 'lammps.egg-info/SOURCES.txt' reading manifest file 'lammps.egg-info/SOURCES.txt' writing manifest file 'lammps.egg-info/SOURCES.txt' Copying lammps.egg-info to build/bdist.linux-aarch64/wheel/./lammps-2024.2.7.egg-info running install_scripts creating build/bdist.linux-aarch64/wheel/lammps-2024.2.7.dist-info/WHEEL creating '/<>/.pybuild/cpython3_3.13_lammps/.tmp-ic_o6bmv/lammps-2024.2.7-py3-none-any.whl' and adding 'build/bdist.linux-aarch64/wheel' to it adding 'lammps/__init__.py' adding 'lammps/constants.py' adding 'lammps/core.py' adding 'lammps/data.py' adding 'lammps/formats.py' adding 'lammps/numpy_wrapper.py' adding 'lammps/pylammps.py' adding 'lammps/mliap/__init__.py' adding 'lammps/mliap/loader.py' adding 'lammps/mliap/mliap_unified_abc.py' adding 'lammps/mliap/mliap_unified_lj.py' adding 'lammps/mliap/pytorch.py' adding 'lammps-2024.2.7.dist-info/METADATA' adding 'lammps-2024.2.7.dist-info/WHEEL' adding 'lammps-2024.2.7.dist-info/top_level.txt' adding 'lammps-2024.2.7.dist-info/RECORD' removing build/bdist.linux-aarch64/wheel Successfully built lammps-2024.2.7-py3-none-any.whl I: pybuild plugin_pyproject:144: Unpacking wheel built for python3.13 with "installer" module I: pybuild plugin_pyproject:178: Copying package built for python3.13 to destdir I: pybuild base:311: cd /<>/.pybuild/cpython3_3.13_lammps/build; python3.13 -m unittest discover -v ---------------------------------------------------------------------- Ran 0 tests in 0.000s NO TESTS RAN I: pybuild plugin_pyproject:129: Building wheel for python3.12 with "build" module I: pybuild base:311: python3.12 -m build --skip-dependency-check --no-isolation --wheel --outdir /<>/.pybuild/cpython3_3.12_lammps * Building wheel... running bdist_wheel running build running build_py creating build/lib/lammps copying lammps/numpy_wrapper.py -> build/lib/lammps copying lammps/constants.py -> build/lib/lammps copying lammps/core.py -> build/lib/lammps copying lammps/formats.py -> build/lib/lammps copying lammps/pylammps.py -> build/lib/lammps copying lammps/__init__.py -> build/lib/lammps copying lammps/data.py -> build/lib/lammps creating build/lib/lammps/mliap copying lammps/mliap/pytorch.py -> build/lib/lammps/mliap copying lammps/mliap/mliap_unified_lj.py -> build/lib/lammps/mliap copying lammps/mliap/loader.py -> build/lib/lammps/mliap copying lammps/mliap/__init__.py -> build/lib/lammps/mliap copying lammps/mliap/mliap_unified_abc.py -> build/lib/lammps/mliap installing to build/bdist.linux-aarch64/wheel running install running install_lib creating build/bdist.linux-aarch64/wheel creating build/bdist.linux-aarch64/wheel/lammps copying build/lib/lammps/numpy_wrapper.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/constants.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/core.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/formats.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/pylammps.py -> build/bdist.linux-aarch64/wheel/./lammps creating build/bdist.linux-aarch64/wheel/lammps/mliap copying build/lib/lammps/mliap/pytorch.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/mliap_unified_lj.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/loader.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/__init__.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/mliap/mliap_unified_abc.py -> build/bdist.linux-aarch64/wheel/./lammps/mliap copying build/lib/lammps/__init__.py -> build/bdist.linux-aarch64/wheel/./lammps copying build/lib/lammps/data.py -> build/bdist.linux-aarch64/wheel/./lammps running install_egg_info running egg_info creating lammps.egg-info writing lammps.egg-info/PKG-INFO writing dependency_links to lammps.egg-info/dependency_links.txt writing top-level names to lammps.egg-info/top_level.txt writing manifest file 'lammps.egg-info/SOURCES.txt' reading manifest file 'lammps.egg-info/SOURCES.txt' writing manifest file 'lammps.egg-info/SOURCES.txt' Copying lammps.egg-info to build/bdist.linux-aarch64/wheel/./lammps-2024.2.7.egg-info running install_scripts creating build/bdist.linux-aarch64/wheel/lammps-2024.2.7.dist-info/WHEEL creating '/<>/.pybuild/cpython3_3.12_lammps/.tmp-n8rkzpx9/lammps-2024.2.7-py3-none-any.whl' and adding 'build/bdist.linux-aarch64/wheel' to it adding 'lammps/__init__.py' adding 'lammps/constants.py' adding 'lammps/core.py' adding 'lammps/data.py' adding 'lammps/formats.py' adding 'lammps/numpy_wrapper.py' adding 'lammps/pylammps.py' adding 'lammps/mliap/__init__.py' adding 'lammps/mliap/loader.py' adding 'lammps/mliap/mliap_unified_abc.py' adding 'lammps/mliap/mliap_unified_lj.py' adding 'lammps/mliap/pytorch.py' adding 'lammps-2024.2.7.dist-info/METADATA' adding 'lammps-2024.2.7.dist-info/WHEEL' adding 'lammps-2024.2.7.dist-info/top_level.txt' adding 'lammps-2024.2.7.dist-info/RECORD' removing build/bdist.linux-aarch64/wheel Successfully built lammps-2024.2.7-py3-none-any.whl I: pybuild plugin_pyproject:144: Unpacking wheel built for python3.12 with "installer" module I: pybuild plugin_pyproject:178: Copying package built for python3.12 to destdir I: pybuild base:311: cd /<>/.pybuild/cpython3_3.12_lammps/build; python3.12 -m unittest discover -v ---------------------------------------------------------------------- Ran 0 tests in 0.000s NO TESTS RAN make[1]: Leaving directory '/<>' dh_install -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_installdocs -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_sphinxdoc make[1]: Entering directory '/<>' echo "sphinx and dh_sphinx are broken for lammps docs. See Bug#1059621" sphinx and dh_sphinx are broken for lammps docs. See Bug#1059621 make[1]: Leaving directory '/<>' dh_installchangelogs -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_installexamples make[1]: Entering directory '/<>' dh_installexamples -X.gitignore make[1]: Leaving directory '/<>' debian/rules override_dh_installman-arch make[1]: Entering directory '/<>' sed -i 's|TH LAMMPS|TH LAMMPS \"1\"|g' /<>/debian/tmp/usr/share/man/man1/lmp.1 dh_installman -a make[1]: Leaving directory '/<>' dh_installman -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build -Nlammps -Nliblammps-dev -Nliblammps0t64 -Npython3-lammps debian/rules execute_before_dh_python3-arch make[1]: Entering directory '/<>' set -e; \ cd python/examples; \ LD_LIBRARY_PATH=/<>/debian/tmp/usr/lib/aarch64-linux-gnu \ PYTHONPATH=/<>/debian/python3-lammps/usr/lib/python3.12/dist-packages:${PYTHONPATH} \ python3 demo.py LAMMPS (7 Feb 2024 - Update 1) Python output: Natoms, mass, x[0][0] coord = 4000 1.0 16.651271530416228 Temperature from compute = 0.7683848148006238 Energy from equal-style variable = -5.774392400140566 Velocity component from atom-style variable = -0.1669643026996425 Volume from get_thermo = 4738.213693437576 Natoms from get_natoms = 4000 Global coords from gather_atoms = 16.651271530416228 16.790010773016775 0.19047524160174037 Changed x[0][0] via scatter_atoms = 17.651271530416228 OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962 Created orthogonal box = (0 0 0) to (16.795962 16.795962 16.795962) 1 by 1 by 1 MPI processor grid Created 4000 atoms using lattice units in orthogonal box = (0 0 0) to (16.795962 16.795962 16.795962) create_atoms CPU = 0.001 seconds Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 20 steps, delay = 0 steps, check = no max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 2.8 ghost atom cutoff = 2.8 binsize = 1.4, bins = 12 12 12 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d bin: standard Setting up Verlet run ... Unit style : lj Current step : 0 Time step : 0.005 Per MPI rank memory allocation (min/avg/max) = 3.763 | 3.763 | 3.763 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -6.7733681 0 -4.6139081 -5.0199732 100 0.76838481 -5.7743924 0 -4.6221033 0.13682061 Loop time of 0.226847 on 1 procs for 100 steps with 4000 atoms Performance: 190436.827 tau/day, 440.826 timesteps/s, 1.763 Matom-step/s 100.0% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.18876 | 0.18876 | 0.18876 | 0.0 | 83.21 Neigh | 0.029109 | 0.029109 | 0.029109 | 0.0 | 12.83 Comm | 0.0046752 | 0.0046752 | 0.0046752 | 0.0 | 2.06 Output | 3.768e-05 | 3.768e-05 | 3.768e-05 | 0.0 | 0.02 Modify | 0.0037342 | 0.0037342 | 0.0037342 | 0.0 | 1.65 Other | | 0.0005342 | | | 0.24 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 5758 ave 5758 max 5758 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 150488 ave 150488 max 150488 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 150488 Ave neighs/atom = 37.622 Neighbor list builds = 5 Dangerous builds not checked Total wall time: 0:00:00 make[1]: Leaving directory '/<>' dh_python3 -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_installsystemduser -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_lintian -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_perl -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_link -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_strip_nondeterminism -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_compress make[1]: Entering directory '/<>' dh_compress -X.pdf make[1]: Leaving directory '/<>' dh_fixperms -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules execute_after_dh_fixperms-indep make[1]: Entering directory '/<>' find /<>/debian/lammps-examples/usr/share/lammps/examples/ -type f -a -not -name *.sh -print -exec chmod 644 {} \; /<>/debian/lammps-examples/usr/share/lammps/examples/controller/in.controller.temp /<>/debian/lammps-examples/usr/share/lammps/examples/controller/log.27Nov18.controller.temp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/controller/log.27Nov18.controller.wall.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/controller/log.27Nov18.controller.wall.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/controller/log.27Nov18.controller.temp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/controller/in.controller.wall /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/Co_PurjaPun_2012.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fcc_cobalt.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_precession/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_precession/test-spin-precession.in /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_precession/llg_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/in.spin.nvt_lattice /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/plot_nvt.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/in.spin.nvt_spin /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/Fe_Mishin2006.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_exchange/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_exchange/test-spin-precession.in /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_exchange/llg_exchange.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nve/plot_nve.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nve/Fe_Mishin2006.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nve/in.spin.iron-nve /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d1.0/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d1.0/langevin.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d1.0/test-prec-spin.template /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d0.01/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d0.01/langevin.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d0.01/test-prec-spin.template /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/README /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/iron/initial.iron_spin /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/iron/final.iron_spin /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/iron/in.gneb.iron /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/skyrmion/in.gneb.skyrmion /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/skyrmion/initial.skyrmion /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/skyrmion/final.skyrmion /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/README /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.bfo_min_lbfgs /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_lbfgs.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.bfo_min /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.bfo_min_cg /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.iron_min /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.iron_min.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.iron_min.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_cg.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_cg.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_lbfgs.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_hcp_co.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/fe_dd.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/in.spin.iron /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_bcc_iron.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/in.spin.iron_cubic /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/Fe_Mishin2006.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/setforce_spin/in.spin.setforce /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/setforce_spin/log.14Apr20.spin.setforce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/setforce_spin/log.14Apr20.spin.setforce.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/fe_dd.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_bcc_iron.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/vmd/vmd_nano.vmd /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel_cubic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/in.spin.nickel /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel_cubic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/in.spin.nickel_cubic /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/exchange_fit_fcc_ni/exchange_fcc_ni2.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/exchange_fit_fcc_ni/exchange_fcc_ni.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/exchange_fit_fcc_ni/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/Ni99.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/Norm_randXY_8x8x32.data /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.restart.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/in.spin.restart /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.restart.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.write_restart.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/in.spin.write_restart /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.read_data.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/restart_hcp_cobalt.equil /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/in.spin.read_data /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.read_data.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.write_restart.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/bfo/in.spin.bfo /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/README /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/charmm22.cmap /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/gagg.data /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/in.cmap /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/in.voronoi /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/in.voronoi.2d /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/in.voronoi.data /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/README /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.wall2d /<>/debian/lammps-examples/usr/share/lammps/examples/body/data.cubes /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.cube /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.pour3d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.pour3d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.squares /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.rod3d /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.cubes.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.body.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.pour3d /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.cubes.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.wall2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/data.squares /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.body /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.point3d /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.body.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.squares.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/data.body /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.cubes /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.tetra /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.squares.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.wall2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.scale.Ni_Zuo_JCPA2020 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.grid.tri /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.compute.quadratic /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.Ta06A /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.InP.JCPA2020 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.grid.snap /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.W.2940 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.hybrid.WSNAP.HePair /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.WBe.PRB2019 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/compute_snap_dgrad.py /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.compute /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.Mo_Chen /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.C_SNAP /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Cu2O.elastic /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.Cu2O /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.comb3-OHCCu /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Si.elastic /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Cu /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.t-HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/lib.comb3 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.m-HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb3 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.c-HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.CuaS /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Si /<>/debian/lammps-examples/usr/share/lammps/examples/comb/elastic.f90 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/README /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/in.threebody /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/log.27Oct21.mos2_sw_mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/single_layer_MoS2.data /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/in.mos2.sw.mod /<>/debian/lammps-examples/usr/share/lammps/examples/numdiff/in.numdiff /<>/debian/lammps-examples/usr/share/lammps/examples/numdiff/log.19Feb2022.log.numdiff.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/numdiff/log.19Feb2022.log.numdiff.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/numdiff/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.lj.hex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tspce.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/data.lj /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.spce.hex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tlj.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tspce.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.lj.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Espce.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.spce.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.lj.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Elj.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.lj.ehex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tlj.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.spce.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.spce.ehex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Elj.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Espce.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/README /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/log.27Nov18.peptide.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/log.27Nov18.peptide.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/in.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.funnel.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.funnel.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.box.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.mixer.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/in.granregion.box /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.box.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/in.granregion.mixer /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.mixer.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/in.granregion.funnel /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/log.ar.lj.8Oct19.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/in.ar.metal /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/in.ar.lj /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/log.ar.lj.8Oct19.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/log.ar.metal.8Oct19.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/log.ar.real.8Oct19.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/in.ar.real /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/log.ar.real.8Oct19.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/log.ar.metal.8Oct19.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/UNITS/README /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.engine.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.engine.tcp.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.engine.mpi.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.mpi.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.engine.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.driver.mpi.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.alone.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.qm.mpi.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.aimd.driver.plugin /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/sequence_driver.py /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.tcp.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.series.driver.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.snapshot.driver /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.series.alone.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.engine.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.qm.tcp.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/data.series.0.7 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.snapshot.driver.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.tcp.2 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.engine.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/data.series.0.8 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.series.driver.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.snapshot.driver.mpi.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.sequence.python /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.engine.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/data.series.0.9 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.engine.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.driver.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.mpi.2 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/aimd_driver.py /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.tcp.2 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.tcp.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.qm.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.snapshot.driver.tcp.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.sequence.engine.tcp.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.snapshot.driver.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.series.driver.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.sequence.engine.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.snapshot.engine /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.aimd.driver /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.snapshot.driver.plugin /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.snapshot.alone /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.series.alone /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.driver.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.snapshot.alone.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.series.driver.mpi.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.sequence.engine.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.driver.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.engine.mpi.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.engine.tcp.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.snapshot.driver.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.alone.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.mpi.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.tcp.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.snapshot.driver.plugin.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.sequence.engine.mpi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.aimd.alone /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.series.engine /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/data.snapshot /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.aimdpy.mm /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.alone.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.series.driver.tcp.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.driver.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.series.driver /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.mpi.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.engine.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.mpi.2 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/dump.17Jun22.series.driver.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.tcp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.series.driver.tcp.3 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.sequence.engine.mpi.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/in.aimdpy.qm /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.sequence.engine.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.mpi.1 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/<>/debian/lammps-examples/usr/share/lammps/examples/hyper/log.2Jun2020.hyper.local.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/hyper/local.001300.jpg /<>/debian/lammps-examples/usr/share/lammps/examples/hyper/log.2Jun2020.hyper.global.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/hyper/local.000400.jpg /<>/debian/lammps-examples/usr/share/lammps/examples/hyper/global.045000.jpg /<>/debian/lammps-examples/usr/share/lammps/examples/hyper/global.089000.jpg /<>/debian/lammps-examples/usr/share/lammps/examples/hyper/in.hyper.global /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-qeq-field.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/data.water /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/in.water.acks2.field /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/in.water.acks2 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/<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ffield.reax /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb-shielded.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/control.reax_c.tatb /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/log.30Nov23.AuO.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/data.AuO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/ffield.reax.AuO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/in.AuO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/log.30Nov23.AuO.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/README 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/<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/data.RDX /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/log.30Nov23.RDX.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/data.ZnOH2 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/in.ZnOH2 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/ffield.reax.ZnOH /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/in.reaxff.tatb /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/control.reax_c.rdx /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/data.hns-equil /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/in.reaxff.hns /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/ffield.reax.hns /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/README.txt /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/README /<>/debian/lammps-examples/usr/share/lammps/examples/ELASTIC/potential.mod /<>/debian/lammps-examples/usr/share/lammps/examples/ELASTIC/init.mod /<>/debian/lammps-examples/usr/share/lammps/examples/ELASTIC/in.elastic /<>/debian/lammps-examples/usr/share/lammps/examples/ELASTIC/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/ELASTIC/displace.mod /<>/debian/lammps-examples/usr/share/lammps/examples/ELASTIC/compliance.py /<>/debian/lammps-examples/usr/share/lammps/examples/crack/in.crack /<>/debian/lammps-examples/usr/share/lammps/examples/crack/log.27Nov18.crack.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/crack/log.27Nov18.crack.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.clock.static /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.neigh.rcb /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.bond.fast /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.neigh.dynamic /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.clock.static.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.clock.dynamic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.neigh.dynamic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.kspace.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.neigh.static.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.var.dynamic.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.bond.fast.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.neigh.static /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.kspace /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.var.dynamic /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.bond.slow /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.group.static.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.kspace.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.group.dynamic.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.bond.fast.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.clock.dynamic.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.group.dynamic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.group.dynamic /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.var.dynamic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.neigh.static.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.neigh.rcb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.clock.static.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.bond.slow.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.neigh.rcb.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.group.static /<>/debian/lammps-examples/usr/share/lammps/examples/balance/in.balance.clock.dynamic /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.group.static.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.neigh.dynamic.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/balance/log.3Nov23.balance.bond.slow.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/in.marble_race /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/open_box.stl /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/in.mesh_box /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.hop1 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.sivac.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/final.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.hop1.end /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.end.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.end.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.hop2 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.hop1.end /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/final.hop1 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/final.hop2 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.hop1 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.sivac.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.hop2 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/README /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop2.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/in.grid.2d /<>/debian/lammps-examples/usr/share/lammps/examples/grid/in.sph /<>/debian/lammps-examples/usr/share/lammps/examples/grid/in.grid.3d /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.sph.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/data.sph /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.sph.g++.12 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.3d.g++.10 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.2d.g++.12 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.3d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.3d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.sph.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/README /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/in.ttm /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/in.ttm.grid /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/in.ttm.mod /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/Si.ttm_mod /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/FeVoter-ChenRecheck.fs /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/argon.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/ff-argon.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vfull.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vhalf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/in.gjf.vhalf /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/in.gjf.vfull /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vfull.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vhalf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/data.aC /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/in.qeq.reaxff /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.20Apr21.qeq.buck.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/ffield.reax.cho /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/param.qeq.reax /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.30Nov23.reaxff.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/in.qeq.buck /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/param.qeq2 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/data.CHO /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/param.qeq1 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.20Apr21.qeq.buck.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.30Nov23.reaxff.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/buck.inc /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.abcfire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire_mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.meam.abcfire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire_mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/final.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/fire/FeTiC.meam /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.abcfire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.qm /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.abcfire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.fire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire_mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.fire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.abcfire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/FeTiClibrary.meam /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.abcfire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/data.fe /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.cg /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.meam.fire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.abcfire.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/initial.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.qm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.fire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire_mod.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.abcfire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.fire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.fire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire_mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.cg.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.fire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire_mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.qm.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.cg.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.abcfire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/README /<>/debian/lammps-examples/usr/share/lammps/examples/nemd/in.nemd /<>/debian/lammps-examples/usr/share/lammps/examples/nemd/log.27Nov18.nemd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/nemd/log.27Nov18.nemd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/in.chain /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/multiple.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/data.chain /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/python/in.fix_external /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/python/example.py /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/simple.f90 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/simple.c /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/log.simple.c++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/in.lj /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/simple.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/log.simple.c++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/many2one.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/Makefile.mpi /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/files.cpp 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.7 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.5 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.6 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/in.scp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/system.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++ /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt03 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt02 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++ /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt01 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt04 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/in.langevin.metal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/in.compute_stress_mop /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/data.mop /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/moppz.time.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/mopz0.time.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/in.methanol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/log.27Nov18.methanol.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/lammps_nb_MET-MET.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/methanol.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/log.27Nov18.methanol.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/log.28Jul2021.srp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/log.28Jul2021.srp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/data.chain /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/in.srp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/i-pi_positions.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/C.opt.tersoff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/in.graphene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/data.graphene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/i-pi_input.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/in.bpti /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/data.bpti /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/in.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.bpti.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.bpti.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/in.molecular /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/data_gap /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.molecular.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.gap.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/out.molecular /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/in.sw /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/gap_example_sparse.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/methane-box-8.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.sw.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/data_sw /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/in.gap /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/sw_example.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/gap_example.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.gap.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.sw.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.molecular.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cnp/log.31May17.cnp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cnp/in.cnp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cnp/Cu_Mishin1.eam /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.Si /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.TiO2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.beta /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.omega /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.single_atom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.fcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.hexagonal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc_relax.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.sc_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.hcp_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc_relax.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.hcp_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.single_atom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.single_atom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.hcp_relax.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.fcc_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.sc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.fcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc_relax.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc_relax.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.single_atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/entropy/Na_MendelevM_2014.eam.fs /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/entropy/log.entropy /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/entropy/data.interface /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/entropy/in.entropy /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/log.6Mar2022.flat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/log.6Mar2022.flat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/log.6Mar2022.sphere.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/log.6Mar2022.cylinder.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/log.6Mar2022.sphere.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/in.cylinder /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/in.sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/in.flat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/stressprofile/log.6Mar2022.cylinder.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/log.balance /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/in.adios_balance /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/adios2_config.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/in.adios_balance2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/log.20Jan20.first.g++.7.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/log.20Jan20.rerun.g++.7.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/adios2_config.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/in.read_dump /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/in.rerun /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/log.20Jan20.read_dump.g++.7.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/in.first /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1_long.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1_long.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/in.hkust1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/in.hkust1_long /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/hkust1.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/e3b/in.e3b-tip4p2005 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/e3b/log.29Mar2019.e3b-tip4p2005.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/e3b/e3b_box.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/e3b/log.29Mar2019.e3b-tip4p2005.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/e3b/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rann/in.rann /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rann/log.22Jun21.rann.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rann/log.22Jun21.rann.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp_react/gel_equil.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp_react/in.srp_react /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp_react/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/addtorque/in.addtorque /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.product.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.recursive.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/in.pace.product /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/compute/in.compute /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/compute/log.5Dec23.compute.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/compute/latte_cell_0.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/compute/log.5Dec23.compute.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/compute/latte_cell_0.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/compute/coupling_coefficients.yace 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/in.C_drip /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/in.CH_drip /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/data.CH /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/README.txt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/data.C /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.opt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.opt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/gra_water.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/log.lammps /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_1_1.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_3_3.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_1_2.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_1_3.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/in.slater /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/data.after_equilibration /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_2_2.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_2_3.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/data.after_production_run /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/vtk/in.vtk 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/atc/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.vacancy.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.vacancy.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/in.adatom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/in.vacancy /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/adatom.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.adatom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/vacancy.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.adatom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/Al_jpc.agni /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.27Nov18.butane.lang.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.27Nov18.butane.nh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/in.butane.tgnh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.27Nov18.butane.lang.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.27Nov18.butane.nh.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.12Nov20.butane.tgnh.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/data.butane /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/in.butane.nh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/in.butane.lang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.12Nov20.butane.tgnh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/swm4-ndp/data.swm4-ndp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.lang.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.nh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/data.toluene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.lang.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/in.toluene.nh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.nh.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/in.toluene.lang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/log.27Nov18.ethanol.nh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/log.27Nov18.ethanol.lang.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/log.27Nov18.ethanol.nh.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/log.27Nov18.ethanol.lang.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/in.ethanol.tgnh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/log.12Nov20.ethanol.tgnh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/in.ethanol.nh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/data.ethanol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/in.ethanol.lang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethanol/log.12Nov20.ethanol.tgnh.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethylene_glycol/log.18Sep20.ethylene_glycol.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethylene_glycol/log.18Sep20.ethylene_glycol.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethylene_glycol/in.ethylene_glycol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethylene_glycol/data.ethylene_glycol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/smart.A /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/qt-300k.C /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/log.h2o-smart /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/in.h2o-quantum /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/qt-300k.A /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/in.h2o-smart /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/log.h2o-quantum /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/data.h2o-quantum /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/data.h2o-smart /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ti/in.ti_spring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/data.h_molecule /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/in.h_molecule /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_atom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/in.h_atom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/data.h_atom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/in.setup /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/in.crystal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/in.pinning /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.setup.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.setup.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/orient_eco/sigma5.ori /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/orient_eco/data.sigma5 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/orient_eco/log.2Jun2020.orent_eco.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/orient_eco/in.orient_eco /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/orient_eco/log.2Jun2020.orent_eco.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momentum/in.momentum /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/BN.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/in.extep-bn /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/in.GD /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/GD.out /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/Vy_profile /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/x_profiles /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/melt_imd-demo.vmd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.bucky-plus-cnt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.deca-ala_imd-gpu /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/bucky-plus-cnt-mol.psf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.melt_imd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/deca-ala_imd-demo.vmd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/deca-ala-solv_imd-demo.vmd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.deca-ala-solv-filter_imd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.bucky-plus-cnt-gpu /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.deca-ala_imd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/bucky_cnt_imd.vmd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/data.deca-ala-solv /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/falcon.tcl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.melt_imd-gpu /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/deca-ala-solv.psf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/deca-ala.psf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/melt.psf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/data.bucky-plus-cnt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/imd/in.deca-ala-solv_imd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/in2d.point /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/in3d.point /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in2d.point.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in2d.point.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in3d.point.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in3d.point.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in3d.ideal_abp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in3d.ideal_apb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in3d.ideal_apb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in2d.abp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/in2d.velocity /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/in2d.ellipsoid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/in3d.ellipsoid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in2d.sphere.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/in3d.sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in2d.sphere.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/in2d.sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.hsph.direct.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/data.NaCl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.cw.ewald /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.ewald /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.hsph.direct /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.ewald.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.hsph.fmm /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.p3m /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/data.hammersley_sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.p2nfft /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.p3m.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.cw.p3m /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.cw.ewald.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.hsph.p2nfft /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.ewald.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.cw.p2nfft 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.fitpod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_data.pod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_training_analysis.pod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_coefficients.pod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_param.pod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.fitpod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_training_errors.pod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.pod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/in.fitpod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/in.bcc0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vacmin-bcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/in.vac0-bcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vac0-bcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/in.vacmin-bcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.potin /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vac0-bcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.parmin /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vacmin-bcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/plumed/plumed.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/plumed/log.4Feb20.peptide-plumed.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/plumed/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/plumed/log.4Feb20.peptide-plumed.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/plumed/in.peptide-plumed /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/plumed/reference/colvar /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/plumed/reference/p.log /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.localdensity.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/in.benzene_water /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.pair.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.pair.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.localdensity.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.7 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/in.temper_npt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.6 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.5 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qtb/log.15Jun20.alpha_quartz_qtb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qtb/log.15Jun20.alpha_quartz_qtb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/ffield.reax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/in.methane_qtb /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/log.30Nov23.methane_qtb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/log.30Nov23.methane_qtb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_potential.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/potential_SiO2.TPF /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_qtb.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/ffield.reax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/log.30Nov23.methane_qbmsst.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/methane_qtb.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/log.30Nov23.methane_qbmsst.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/Data_region /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/in.fix_wall_region /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/Data_wall /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall_region.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/in.fix_wall /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall_region.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/input.ref /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/generate.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/sequence_simple.txt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/generate_simple.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/sequence.txt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/data.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/data.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/data.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/data.dsring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/in.dsring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/data.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/data.duplex3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.8type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.4type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/generate_unique.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/data.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/in-fep10-lj.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-lj.out /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/in-fep10-q.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-lj.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-q.out /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-q.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/mols/spce_h.ff 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/data.init_conf_with_heptane /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/in.deletion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/log.deletion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/in.insertion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/data.init_conf_with_heptane /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/log.insertion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/log.fep10 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/fep10.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/log.fdti10 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/fdti10.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/tip4pew.zmat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/data.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/tip4pew.ff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/oplsaa.ff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/methane.zmat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/fep01.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/log.fep01 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/fdti01.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/log.fdti01 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov2020.tiny_polystyrene.stabilized.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/tiny_polystyrene.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov19.tiny_polystyrene.stabilized.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_pre.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/tiny_epoxy.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_pre.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/trimer.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_pre.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized_variable_probability.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp1_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/tiny_nylon.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp2_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.unstabilized.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp2_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp1_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp2_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp1_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized_variable_probability.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.unstabilized.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/large_nylon_melt.data.gz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/in.cascade_SiSi /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_SiSi.intel.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/in.elstop /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/in.elstop.only /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_AlCu.intel.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.only.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/Si.Si.elstop /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_SiSi.intel.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_AlCu.intel.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/in.cascade_AlCu /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.only.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/data.wca /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/data.wca /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/in.npt_biaxial /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.10Mar21.dpdext.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/in.dpdext /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.10Mar21.dpdext.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/in.dpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce_table.pot /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/in.chreg-acid-real /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/log.11Apr21.chreg-acid-real.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/data.chreg-acid-real /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/log.10Feb21.chreg-acid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/log.11Apr21.chreg-acid-real.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/data.chreg-acid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/log.10Feb21.chreg-polymer.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/log.10Feb21.chreg-acid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/in.chreg-acid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/data.chreg-polymer /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/log.10Feb21.chreg-polymer.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/in.chreg-polymer /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H2/data.h2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H2/in.h2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H2/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H_plasma/in.h2bulk.npt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H_plasma/data.h2bulk /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H_plasma/in.h2bulk.nve.ang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H_plasma/data.h2bulk.ang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H_plasma/in.h2bulk.nve /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H_plasma/README 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Auger-Adamantane/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Li-solid/data.Li.ang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Li-solid/in.Li.ang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Li-solid/data.Li.bohr /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Li-solid/in.Li.bohr /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Li-solid/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ptm/ptm_example.in /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cauchy/log.2Jun2020.cauchystat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cauchy/in.cauchystat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cauchy/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8-angle.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/data.pegc12e8.gz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/in.pegc12e8 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8-angle.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-regular.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/data.sds.gz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-hybrid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-hybrid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/in.sds-regular /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/in.sds-hybrid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-regular.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/water_collapse/data.initial /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/water_collapse/water_collapse.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/cavity_flow/cavity_flow.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/heatconduction/compare_analytic.gpl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/heatconduction/sph_heat_conduction_2d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/heatconduction/sph_heat_conduction_3d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/shock3d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/compare_exact.gpl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/shock2d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/exact_solution.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/data.zr_cell /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/in.slcsa /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/log.12Dec23.slcsa.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/log.12Dec23.slcsa.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_bias.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_decision.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lda_scalings.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/mahalanobis_file.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/mean_descriptor.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-6rep/425/restart.init /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-6rep/double-re-short.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-6rep/410/restart.init 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-temper/0/lj.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/lj.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/log.lammps.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-temper/in.gREM-temper /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-single/in.gREM-nvt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-single/in.gREM-npt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/lj-single/lj.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/grem/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/input.nn /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/scaling.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.008.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.001.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/in.hdnnp 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/cc.profile.21Apr23.tdpd-region.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/cc.profile.21Apr23.tdpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/log.21Apr23.tdpd-region.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/cc.profile.21Apr23.tdpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/log.21Apr23.tdpd-region.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/in.tdpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/in.tdpd-region /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/log.21Apr23.tdpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/tdpd/log.21Apr23.tdpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/mdpd/log.16Aug17.mdpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/mdpd/in.mdpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/mdpd/log.16Aug17.mdpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/temp.profile.21Apr23.edpd-region.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/in.edpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/temp.profile.21Apr23.edpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/temp.profile.16Aug17.edpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/in.edpd-region /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/temp.profile.21Apr23.edpd-region.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/log.21Apr23.edpd-region.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/log.21Apr23.edpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/temp.profile.16Aug17.edpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/log.21Apr23.edpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/log.21Apr23.edpd-region.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/edpd/temp.profile.21Apr23.edpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-meso/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.twowater.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.twowater.g++.4.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.alloy.g++.4.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.twowater.g++.4.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.alloy.g++.4.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/in.twowater /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/h2o.mol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.alloy.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/in.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out.colvars.state.old /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out.colvars.state /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out.colvars.traj /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-spring2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide2.colvars.state /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide.psf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide.colvars2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out2.colvars.traj /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide.colvars /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide2.colvars.traj /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-colvars2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-colvars /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-spring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out2.colvars.state /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-pppm-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-pppm-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/data.au-vac /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ew2d /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/data.au-aq /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/in.ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/in.tf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-tf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-tf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.ramp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/data.graph-il /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.thermo /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.conq2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-etypes.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-thermo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.conq /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ramp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-thermo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.conp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.etypes /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-etypes.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ramp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/data.piston /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/log.1Dec2022.piston.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/data.piston.final /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/log.1Dec2022.piston.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/in.piston /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/eval.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.ewald-ew2d /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-ewald-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.cg /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.ewald-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-cg.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.pppm-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-pppm-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.pppm-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/data.au-elyt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.ewald-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/plate_cap.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-ewald-ew2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-pppm-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-ewald-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tmd/log.31Mar22.tmd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tmd/log.31Mar22.tmd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tmd/tmd.log.31Mar22.tmd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tmd/tmd.target /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tmd/in.tmd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tmd/tmd.log.31Mar22.tmd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/pafipath.4.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/log.15Apr20.pafi.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/in.pafi /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/log.15Apr20.pafi.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.gmres.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.icc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.dof.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.gmres.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.dof.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.gmres.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/data.sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.icc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/in.nopbc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.icc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.gmres.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.dof.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.icc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.dof.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/data.confined /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/in.confined /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/README /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.shake /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/molecule.dimer.shake /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-small /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nvt-small /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/molecule.dimer /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nve-small /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.atom /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/dipole/in.dipole /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.first.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/rdf.09Jan20.rerun.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.rdf.rerun.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.rdf.rerun /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.read_dump.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.rdf.first /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/rdf.09Jan20.first.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.rdf.first.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.read_dump /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.rerun /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.first /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.rerun.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/README /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.tnr /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.early.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid.small /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid-property /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.small /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.molecule /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.property /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid.tnr /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.atomvar /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/bodies.txt /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.gravity /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.nve.early /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.early /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.infile.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.infile.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.infile.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/unconnected-bodies.dat /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.infile /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/molecule.data /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/bodyinfo.dat /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems5 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.nve /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/connected-bodies2.dat /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomfile.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems3 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.atomfile /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.4 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/<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems2 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/msst/log.08Feb21.msst.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/msst/log.08Feb21.msst.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/msst/in.msst /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_hybrid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_spce.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_long.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_invoke /<>/debian/lammps-examples/usr/share/lammps/examples/python/funcs.py /<>/debian/lammps-examples/usr/share/lammps/examples/python/README.pair_python /<>/debian/lammps-examples/usr/share/lammps/examples/python/py_nve.py /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.python.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_table.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_invoke_neighlist /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_harmonic /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_spce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_melt /<>/debian/lammps-examples/usr/share/lammps/examples/python/py_pot.py /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.python /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_move_nve_melt_opt /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_invoke.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_table.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_spce /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_long /<>/debian/lammps-examples/usr/share/lammps/examples/python/README.fix_python_move /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_coulomb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_invoke.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_move_nve_melt /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_long.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_hybrid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_table /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_coulomb /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_hybrid /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.python.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.opencl.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.openmp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_coulomb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_box.amoeba.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_hexamer.amoeba.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/hippo_water_box.key /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/hippo_water.prm /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_hexamer.hippo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/in.water_hexamer.amoeba /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_dimer.amoeba.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_hexamer.amoeba.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/in.water_hexamer.hippo /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/data.water_box.hippo /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_box.hippo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/in.water_dimer.amoeba /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/water_box.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/data.water_box.amoeba /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/water_dimer.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/in.water_dimer.hippo /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/water_hexamer.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/bitorsion.ubiquitin.data /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/data.water_hexamer.hippo /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/amoeba_ubiquitin.key /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.ubiquitin.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/amoeba_water_box.key /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/data.water_dimer.hippo /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/amoeba_water.prm /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/hippo_water.key /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_dimer.hippo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/in.water_box.hippo /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/amoeba_ubiquitin.prm /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/data.ubiquitin /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/in.water_box.amoeba /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/amoeba_water.key /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/data.water_dimer.amoeba /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_box.amoeba.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/data.water_hexamer.amoeba /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_dimer.amoeba.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_box.hippo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/ubiquitin.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_hexamer.hippo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/in.ubiquitin /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.water_dimer.hippo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/log.7Jul22.ubiquitin.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/amoeba/README /<>/debian/lammps-examples/usr/share/lammps/examples/srd/in.srd.mixture /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/in.srd.pure /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.min.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/in.indent /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.min.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/in.indent.min /<>/debian/lammps-examples/usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/colloid/in.colloid /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.rebo2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-0-0.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-m.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-m.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/data.airebo /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.rebo2 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-0-0.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.airebo-m /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.airebo-0-0 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.airebo /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.rebo2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.3 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/log.5Oct16.prd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.0 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/in.prd /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.1 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.2 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.0 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/log.5Oct16.prd.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.3 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/README /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/in.ellipse.gayberne /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.resquared.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/in.ellipse.resquared /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1 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/<>/debian/lammps-examples/usr/share/lammps/examples/plugins/nve2plugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/angle_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/morse2plugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/improper_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/bond_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/improper_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/Makefile.macos /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/zero2plugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/Makefile.common /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/angle_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/bond_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/LAMMPSInterfaceCXX.cmake /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/dihedral_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_morse2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_morse2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/fix_nve2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/Makefile /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_morse2_omp.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/fix_nve2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/friction/log.27Nov18.friction.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/friction/in.friction /<>/debian/lammps-examples/usr/share/lammps/examples/friction/log.27Nov18.friction.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/yaml/in.yaml /<>/debian/lammps-examples/usr/share/lammps/examples/yaml/log.7Apr22.yaml.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/in.msd.2d /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/log.3Aug18.vacf.2d.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/log.3Aug18.msd.2d.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/in.vacf.2d /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/README /<>/debian/lammps-examples/usr/share/lammps/examples/relres/Data.22DMH.in.relres /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.respa.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/in.22DMH.respa /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.respa.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.relres.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.real.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/Data.22DMH.in.real /<>/debian/lammps-examples/usr/share/lammps/examples/relres/in.22DMH.real /<>/debian/lammps-examples/usr/share/lammps/examples/relres/in.22DMH.relres /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.real.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.relres.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/README /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell.wolf /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell.thermostats /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/data.coreshell /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell.dsf /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/shear/log.27Nov18.shear.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/shear/in.shear /<>/debian/lammps-examples/usr/share/lammps/examples/shear/log.27Nov18.shear.void.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/shear/Ni_u3.eam /<>/debian/lammps-examples/usr/share/lammps/examples/shear/log.27Nov18.shear.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/shear/log.27Nov18.shear.void.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/shear/in.shear.void /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.compute /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.Ta06A /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/convert_mliap_Ta06A.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.nn.Ta06A /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.quadratic /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/relu1hidden.mliap.pytorch.model.pt /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.so3.nn.Si /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/mliap_unified_lj_Ar.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/compute.quadratic.gg1.dat /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.03Jul20.mliap.snap.compute.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/mliap_pytorch_Ta06A.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.quadratic.compute /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_unified_jax.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/deploy_script.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_unified_jax_kokkos.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_jax.pkl /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_unified_jax_Ar.pkl /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/in.run /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/write_unified.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.quadratic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/mliap_numpy_Ta06A.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/compute.quadratic.gg0.dat 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/<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.heat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.flatwall.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/in.pour.flatwall /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.drum.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.flatwall.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.drum.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.heat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.diffusive /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.table /<>/debian/lammps-examples/usr/share/lammps/examples/wall/walltab.dat /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.lepton /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.maxwell /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/wall.inc /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.specular /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.ccl /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/MC-LOOP/in.mc /<>/debian/lammps-examples/usr/share/lammps/examples/MC-LOOP/log.13Oct16.mc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/MC-LOOP/README /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/data.quartz /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.inp /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.table.sio2 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.sio2 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.table.inp /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.molecular-mix 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/<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/PySCF/in.mixture.qmmm.plugin /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/PySCF/log.22Mar23.water.qmmm.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/PySCF/in.mixture.qmmm /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/PySCF/log.22Mar23.mixture.mm.1 /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/PySCF/in.water.qmmm.plugin /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/PySCF/README /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/README /<>/debian/lammps-examples/usr/share/lammps/examples/tersoff/in.hBN_shift /<>/debian/lammps-examples/usr/share/lammps/examples/tersoff/log.13Jan21.hBN_shift.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/tersoff/hBN-monolayer-5nm.data /<>/debian/lammps-examples/usr/share/lammps/examples/tersoff/log.09Feb21.tersoff.g++.1 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/<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.langevin.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.ehex /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.mp.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.heatflux.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.langevin /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.heat /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.heat.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.heatflux /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.ehex.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.ehex.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.heatflux.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.mp /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.langevin.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.heat.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.mp.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/README /<>/debian/lammps-examples/usr/share/lammps/examples/obstacle/log.27Nov18.obstacle.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/obstacle/in.obstacle /<>/debian/lammps-examples/usr/share/lammps/examples/obstacle/log.27Nov18.obstacle.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-query /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-query.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-pm.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.lammps.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.lammps.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-pm-property /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-query.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-property.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.lammps.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-sm.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-ex.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-ex.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-query.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-ex.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-sm.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-pm-query.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-property.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-sm.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/plugin/kimplugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/kim/plugin/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/plugin/README.txt /<>/debian/lammps-examples/usr/share/lammps/examples/melt/in.melt /<>/debian/lammps-examples/usr/share/lammps/examples/melt/log.8Apr21.melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/melt/log.8Apr21.melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/MOH.nb3b.harmonic /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/data.NaPO3 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/Table_NP.dat /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/data.nb3b /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/README.nb3b.screened /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/in.nb3b /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/in.nb3b.screened /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/in.spce /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/log.27Nov18.spce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/spce-rdf.dat.ref /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/spce-adf.dat.ref /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/log.27Nov18.spce.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/eim/log.27Nov18.eim.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/eim/log.27Nov18.eim.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/eim/in.eim /<>/debian/lammps-examples/usr/share/lammps/examples/eim/data.eim /<>/debian/lammps-examples/usr/share/lammps/examples/dreiding/ch3oh.box.dreiding.cerius2.eng.dat /<>/debian/lammps-examples/usr/share/lammps/examples/dreiding/in.dreiding /<>/debian/lammps-examples/usr/share/lammps/examples/dreiding/ch3oh.box.dreiding.bgf /<>/debian/lammps-examples/usr/share/lammps/examples/dreiding/log.27Nov18.dreiding.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/dreiding/log.27Nov18.dreiding.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/dreiding/data.dreiding /<>/debian/lammps-examples/usr/share/lammps/examples/dreiding/README /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/in.micelle /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle-rigid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle-rigid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/data.micelle /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/in.micelle-rigid /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/def.micelle /<>/debian/lammps-examples/usr/share/lammps/examples/min/log.27Nov18.min.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/min/log.27Nov18.min.box.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/min/in.min /<>/debian/lammps-examples/usr/share/lammps/examples/min/log.27Nov18.min.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/min/log.27Nov18.min.box.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/min/in.min.box /<>/debian/lammps-examples/usr/share/lammps/examples/hugoniostat/log.08Feb21.hugoniostat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/hugoniostat/in.hugoniostat /<>/debian/lammps-examples/usr/share/lammps/examples/hugoniostat/log.08Feb21.hugoniostat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.pois.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/in.flow.couette /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.pois.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.couette.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/in.flow.pois /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.couette.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/atm/log.27Nov18.atm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/atm/log.27Nov18.atm.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/atm/in.atm /<>/debian/lammps-examples/usr/share/lammps/examples/tad/log.5Oct16.tad.g++.3 /<>/debian/lammps-examples/usr/share/lammps/examples/tad/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/tad/in.tad /<>/debian/lammps-examples/usr/share/lammps/examples/tad/README /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/in.pour.2d /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/in.pour.2d.molecule /<>/debian/lammps-examples/usr/share/lammps/examples/pour/in.pour /<>/debian/lammps-examples/usr/share/lammps/examples/pour/molecule.vshape /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/lifetime_hist.dat /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/contact_history.dat /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/log.8Apr21.tracker.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/in.track /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/reference/lifetime_hist.dat /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/reference/contact_history.dat /<>/debian/lammps-examples/usr/share/lammps/examples/README make[1]: Leaving directory '/<>' dh_missing -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_dwz make[1]: Entering directory '/<>' dh_dwz -Xliblammps.so.0 make[1]: Leaving directory '/<>' dh_strip -a -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_makeshlibs -a -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_shlibdeps -a -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dh_installdeb -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_gencontrol -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dpkg-gencontrol: warning: package lammps-examples: substitution variable ${perl:Depends} unused, but is defined dpkg-gencontrol: warning: Depends field of package lammps-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package python3-lammps: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package liblammps-dev: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_builddeb -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dpkg-deb: building package 'lammps' in '../lammps_20240207+dfsg-1.1_arm64.deb'. dpkg-deb: building package 'liblammps0t64' in '../liblammps0t64_20240207+dfsg-1.1_arm64.deb'. dpkg-deb: building package 'lammps-doc' in '../lammps-doc_20240207+dfsg-1.1_all.deb'. dpkg-deb: building package 'lammps-dbgsym' in '../lammps-dbgsym_20240207+dfsg-1.1_arm64.deb'. dpkg-deb: building package 'liblammps-dev' in '../liblammps-dev_20240207+dfsg-1.1_arm64.deb'. dpkg-deb: building package 'lammps-data' in '../lammps-data_20240207+dfsg-1.1_all.deb'. dpkg-deb: building package 'liblammps0t64-dbgsym' in '../liblammps0t64-dbgsym_20240207+dfsg-1.1_arm64.deb'. dpkg-deb: building package 'python3-lammps' in '../python3-lammps_20240207+dfsg-1.1_arm64.deb'. dpkg-deb: building package 'lammps-examples' in '../lammps-examples_20240207+dfsg-1.1_all.deb'. dpkg-genbuildinfo --build=binary -O../lammps_20240207+dfsg-1.1_arm64.buildinfo dpkg-genchanges --build=binary -O../lammps_20240207+dfsg-1.1_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) -------------------------------------------------------------------------------- Build finished at 2024-11-16T21:03:18Z Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Changes | +------------------------------------------------------------------------------+ lammps_20240207+dfsg-1.1_arm64.changes: --------------------------------------- Format: 1.8 Date: Wed, 28 Feb 2024 16:51:42 +0000 Source: lammps Binary: lammps lammps-data lammps-dbgsym lammps-doc lammps-examples liblammps-dev liblammps0t64 liblammps0t64-dbgsym python3-lammps Architecture: all arm64 Version: 20240207+dfsg-1.1 Distribution: sid Urgency: medium Maintainer: Debian Science Maintainers Changed-By: Lukas Märdian Description: lammps - Molecular Dynamics Simulator lammps-data - Molecular Dynamics Simulator. Data (potentials) lammps-doc - Molecular Dynamics Simulator (documentation) lammps-examples - Molecular Dynamics Simulator (examples) liblammps-dev - Molecular Dynamics Simulator (dev files) liblammps0t64 - Molecular Dynamics Simulator (shared library) python3-lammps - Molecular Dynamics Simulator Closes: 1062514 Changes: lammps (20240207+dfsg-1.1) unstable; urgency=medium . * Non-maintainer upload. * Rename libraries for 64-bit time_t transition. Closes: #1062514 Checksums-Sha1: 29fdff1b02173988cc3e7e4aba1989227a2141a9 9539684 lammps-data_20240207+dfsg-1.1_all.deb ebc7f0ff2f30138fe5a2efc54d5865150ea006ad 22984 lammps-dbgsym_20240207+dfsg-1.1_arm64.deb c850a57aaa3fe7b5d1d76e5840ee552943f56b71 54074856 lammps-doc_20240207+dfsg-1.1_all.deb 4a824c521e171d1d1632d854b88f29a3177f0be9 45419824 lammps-examples_20240207+dfsg-1.1_all.deb 19f98340f9b4e006faf669ffc116e1e1ec06865c 31694 lammps_20240207+dfsg-1.1_arm64.buildinfo 80c91f29bb68424d7fd03f5c51be23dd10ec674e 18192 lammps_20240207+dfsg-1.1_arm64.deb ac65c0a5391303b36432810bc68b05cc894b498d 114024 liblammps-dev_20240207+dfsg-1.1_arm64.deb 5df5e40ed1011d89e4f41503537a83da81267e76 82208288 liblammps0t64-dbgsym_20240207+dfsg-1.1_arm64.deb f8d39f702ed28506114222ecf4229978cba47bd7 6128520 liblammps0t64_20240207+dfsg-1.1_arm64.deb ae76cb4701c48bcb01da4960401164df35a03c83 72264 python3-lammps_20240207+dfsg-1.1_arm64.deb Checksums-Sha256: 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e080939703de95500dee4a59719996f6ea77dba1220fb20cac18e99e09b908e3 6128520 liblammps0t64_20240207+dfsg-1.1_arm64.deb a8cf445ca2cf943681db959a8d86c5ee464c05992f8e04a6ca4e3e1fd8f5ba76 72264 python3-lammps_20240207+dfsg-1.1_arm64.deb Build-Origin: Debian Build-Architecture: arm64 Build-Date: Sat, 16 Nov 2024 21:03:16 +0000 Build-Path: /<> Build-Tainted-By: merged-usr-via-aliased-dirs Installed-Build-Depends: adduser (= 3.137), adwaita-icon-theme (= 47.0-2), at-spi2-common (= 2.54.0-1), autoconf (= 2.72-3), automake (= 1:1.16.5-1.3), autopoint (= 0.22.5-2), autotools-dev (= 20220109.1), base-files (= 13.5), base-passwd (= 3.6.5), bash (= 5.2.32-1+b2), binutils (= 2.43.1-5), binutils-aarch64-linux-gnu (= 2.43.1-5), binutils-common (= 2.43.1-5), bsdextrautils (= 2.40.2-11), bsdutils (= 1:2.40.2-11), build-essential (= 12.12), bzip2 (= 1.0.8-6), ca-certificates (= 20240203), ca-certificates-java (= 20240118), cfortran (= 20210827-1), cmake (= 3.31.0-1), cmake-data (= 3.31.0-1), comerr-dev (= 2.1-1.47.1-1+b1), coreutils (= 9.5-1+b1), cpp (= 4:14.2.0-1), cpp-14 (= 14.2.0-8), cpp-14-aarch64-linux-gnu (= 14.2.0-8), cpp-aarch64-linux-gnu (= 4:14.2.0-1), dash (= 0.5.12-9+b1), dbus (= 1.14.10-6), dbus-bin (= 1.14.10-6), dbus-daemon (= 1.14.10-6), dbus-session-bus-common (= 1.14.10-6), dbus-system-bus-common (= 1.14.10-6), dbus-user-session (= 1.14.10-6), dconf-gsettings-backend (= 0.40.0-4+b3), dconf-service (= 0.40.0-4+b3), debconf (= 1.5.87), debhelper (= 13.20), debianutils (= 5.21), default-jdk (= 2:1.21-76), default-jdk-headless (= 2:1.21-76), default-jre (= 2:1.21-76), default-jre-headless (= 2:1.21-76), default-libmysqlclient-dev (= 1.1.1), dh-autoreconf (= 20), dh-python (= 6.20241024), dh-strip-nondeterminism (= 1.14.0-1), dictionaries-common (= 1.30.1), diffutils (= 1:3.10-1+b1), docutils-common (= 0.21.2+dfsg-2), doxygen (= 1.9.8+ds-2+b3), dpkg (= 1.22.12~1.gbp82cafd), dpkg-dev (= 1.22.12~1.gbp82cafd), dwz (= 0.15-1+b1), emacsen-common (= 3.0.5), file (= 1:5.45-3+b1), findutils (= 4.10.0-3), fontconfig (= 2.15.0-1.1+b1), fontconfig-config (= 2.15.0-1.1+b1), fonts-dejavu-core (= 2.37-8), fonts-dejavu-mono (= 2.37-8), fonts-font-awesome (= 5.0.10+really4.7.0~dfsg-4.1), fonts-lato (= 2.015-1), fonts-lmodern (= 2.005-1), fonts-mathjax (= 2.7.9+dfsg-1), g++ (= 4:14.2.0-1), g++-14 (= 14.2.0-8), g++-14-aarch64-linux-gnu (= 14.2.0-8), g++-aarch64-linux-gnu (= 4:14.2.0-1), gcc (= 4:14.2.0-1), gcc-14 (= 14.2.0-8), gcc-14-aarch64-linux-gnu (= 14.2.0-8), gcc-14-base (= 14.2.0-8), gcc-aarch64-linux-gnu (= 4:14.2.0-1), gdal-data (= 3.9.3+dfsg-1), gdal-plugins (= 3.9.3+dfsg-1+b1), gettext (= 0.22.5-2), gettext-base (= 0.22.5-2), gfortran (= 4:14.2.0-1), gfortran-14 (= 14.2.0-8), gfortran-14-aarch64-linux-gnu (= 14.2.0-8), gfortran-aarch64-linux-gnu (= 4:14.2.0-1), git (= 1:2.45.2-1.2), git-man (= 1:2.45.2-1.2), gpg (= 2.2.45-2), gpgconf (= 2.2.45-2), graphviz (= 2.42.4-2+b1), grep (= 3.11-4+b1), groff-base (= 1.23.0-5), gtk-update-icon-cache (= 4.16.5+ds-2), gzip (= 1.12-1.1+b1), hdf5-helpers (= 1.10.10+repack-4), hicolor-icon-theme (= 0.18-1), hostname (= 3.25), htmldoc (= 1.9.18-3), htmldoc-common (= 1.9.18-3), hunspell-en-us (= 1:2020.12.07-3), ibverbs-providers (= 52.0-2+b1), icu-devtools (= 72.1-5+b1), init-system-helpers (= 1.67), intltool-debian (= 0.35.0+20060710.6), iso-codes (= 4.17.0-1), java-common (= 0.76), krb5-multidev (= 1.21.3-3), latexmk (= 1:4.85-1), libabsl20230802 (= 20230802.1-4), libacl1 (= 2.3.2-2+b1), libaec-dev (= 1.1.3-1+b1), libaec0 (= 1.1.3-1+b1), libamd-comgr2 (= 6.0+git20231212.4510c28+dfsg-3+b2), libamdhip64-5 (= 5.7.1-5), libann0 (= 1.1.2+doc-9+b2), libaom3 (= 3.11.0~rc1-1), libapache-pom-java (= 33-2), libapparmor1 (= 3.1.7-1+b3), libarchive-zip-perl (= 1.68-1), libarchive13t64 (= 3.7.4-1.1), libarmadillo-dev (= 1:14.0.1+dfsg-2+b1), libarmadillo14 (= 1:14.0.1+dfsg-2+b1), libarpack2-dev (= 3.9.1-1.1+b2), libarpack2t64 (= 3.9.1-1.1+b2), libasan8 (= 14.2.0-8), libasound2-data (= 1.2.12-1), libasound2t64 (= 1.2.12-1+b1), libaspell15 (= 0.60.8.1-1+b2), libassuan9 (= 3.0.1-2), libatk-bridge2.0-0t64 (= 2.54.0-1), libatk1.0-0t64 (= 2.54.0-1), libatomic1 (= 14.2.0-8), libatspi2.0-0t64 (= 2.54.0-1), libattr1 (= 1:2.5.2-2), libaudit-common (= 1:4.0.2-2), libaudit1 (= 1:4.0.2-2), libavahi-client3 (= 0.8-13+b3), libavahi-common-data (= 0.8-13+b3), libavahi-common3 (= 0.8-13+b3), libavcodec-dev (= 7:7.1-3), libavcodec61 (= 7:7.1-3), libavformat-dev (= 7:7.1-3), libavformat61 (= 7:7.1-3), libavif16 (= 1.1.1-1), libavutil-dev (= 7:7.1-3), libavutil59 (= 7:7.1-3), libbinutils (= 2.43.1-5), libblas-dev (= 3.12.0-3+b1), libblas3 (= 3.12.0-3+b1), libblkid1 (= 2.40.2-11), libblosc-dev (= 1.21.5+ds-1+b2), libblosc1 (= 1.21.5+ds-1+b2), libbluray2 (= 1:1.3.4-1+b2), libboost-dev (= 1.83.0.2+b2), libboost1.83-dev (= 1.83.0-3.2+b1), libbrotli-dev (= 1.1.0-2+b6), libbrotli1 (= 1.1.0-2+b6), libbsd0 (= 0.12.2-2), libbz2-1.0 (= 1.0.8-6), libbz2-dev (= 1.0.8-6), libc-bin (= 2.40-3), libc-dev-bin (= 2.40-3), libc6 (= 2.40-3), libc6-dev (= 2.40-3), libcairo-gobject2 (= 1.18.2-2), libcairo2 (= 1.18.2-2), libcap-ng0 (= 0.8.5-3+b1), libcap2 (= 1:2.66-5+b1), libcap2-bin (= 1:2.66-5+b1), libcbor0.10 (= 0.10.2-2), libcc1-0 (= 14.2.0-8), libcdt5 (= 2.42.4-2+b1), libcfitsio-dev (= 4.5.0-5), libcfitsio10t64 (= 4.5.0-5), libcgraph6 (= 2.42.4-2+b1), libchromaprint1 (= 1.5.1-6), libcjson1 (= 1.7.18-3+b1), libclang-cpp19 (= 1:19.1.3-2), libclang1-19 (= 1:19.1.3-2), libcloudproviders0 (= 0.3.6-1+b1), libcodec2-1.2 (= 1.2.0-2+b2), libcolord2 (= 1.4.7-1+b2), libcom-err2 (= 1.47.1-1+b1), libcommons-logging-java (= 1.3.0-1), libcommons-parent-java (= 56-1), libcrypt-dev (= 1:4.4.36-5), libcrypt1 (= 1:4.4.36-5), libctf-nobfd0 (= 2.43.1-5), libctf0 (= 2.43.1-5), libcups2t64 (= 2.4.10-2), libcurl3t64-gnutls (= 8.11.0-1), libcurl4-openssl-dev (= 8.11.0-1), libcurl4t64 (= 8.11.0-1), libdatrie1 (= 0.2.13-3+b1), libdav1d7 (= 1.5.0-1+b1), libdb5.3t64 (= 5.3.28+dfsg2-9), libdbus-1-3 (= 1.14.10-6), libdconf1 (= 0.40.0-4+b3), libde265-0 (= 1.0.15-1+b2), libdebconfclient0 (= 0.273), libdebhelper-perl (= 13.20), libdeflate-dev (= 1.22-1), libdeflate0 (= 1.22-1), libdouble-conversion-dev (= 3.3.0-1+b2), libdouble-conversion3 (= 3.3.0-1+b2), libdpkg-perl (= 1.22.12~1.gbp82cafd), libdrm-amdgpu1 (= 2.4.123-1), libdrm-common (= 2.4.123-1), libdrm-radeon1 (= 2.4.123-1), libdrm2 (= 2.4.123-1), libdvdnav4 (= 6.1.1-3+b1), libdvdread8t64 (= 6.1.3-2), libdw1t64 (= 0.192-4), libedit2 (= 3.1-20240808-1), libegl-dev (= 1.7.0-1+b2), libegl-mesa0 (= 24.2.7-1), libegl1 (= 1.7.0-1+b2), libeigen3-dev (= 3.4.0-4), libelf1t64 (= 0.192-4), libenchant-2-2 (= 2.3.3-2+b3), libepoxy0 (= 1.5.10-2), liberror-perl (= 0.17029-2), libevdev2 (= 1.13.3+dfsg-1), libevent-2.1-7t64 (= 2.1.12-stable-10+b1), libevent-core-2.1-7t64 (= 2.1.12-stable-10+b1), libevent-dev (= 2.1.12-stable-10+b1), libevent-extra-2.1-7t64 (= 2.1.12-stable-10+b1), libevent-openssl-2.1-7t64 (= 2.1.12-stable-10+b1), libevent-pthreads-2.1-7t64 (= 2.1.12-stable-10+b1), libexpat1 (= 2.6.4-1), libexpat1-dev (= 2.6.4-1), libfabric1 (= 1.17.0-3.1), libffi8 (= 3.4.6-1), libfftw3-bin (= 3.3.10-2), libfftw3-dev (= 3.3.10-2), libfftw3-double3 (= 3.3.10-2), libfftw3-long3 (= 3.3.10-2), libfftw3-single3 (= 3.3.10-2), libfido2-1 (= 1.15.0-1+b1), libfile-stripnondeterminism-perl (= 1.14.0-1), libfltk-images1.3t64 (= 1.3.8-6.1+b1), libfltk1.3t64 (= 1.3.8-6.1+b1), libfmt10 (= 10.1.1+ds1-4), libfontbox-java (= 1:1.8.16-5), libfontconfig-dev (= 2.15.0-1.1+b1), libfontconfig1 (= 2.15.0-1.1+b1), libfontconfig1-dev (= 2.15.0-1.1+b1), libfontenc1 (= 1:1.1.8-1+b1), libfreetype-dev (= 2.13.3+dfsg-1), libfreetype6 (= 2.13.3+dfsg-1), libfreexl-dev (= 2.0.0-1+b3), libfreexl1 (= 2.0.0-1+b3), libfribidi0 (= 1.0.15-1), libfyba-dev (= 4.1.1-11+b1), libfyba0t64 (= 4.1.1-11+b1), libgav1-1 (= 0.19.0-2+b2), libgbm1 (= 24.2.7-1), libgcc-14-dev (= 14.2.0-8), libgcc-s1 (= 14.2.0-8), libgcrypt20 (= 1.11.0-6), libgd3 (= 2.3.3-12+b1), libgdal-dev (= 3.9.3+dfsg-1+b1), libgdal35 (= 3.9.3+dfsg-1+b1), libgdbm-compat4t64 (= 1.24-2), libgdbm6t64 (= 1.24-2), libgdk-pixbuf-2.0-0 (= 2.42.12+dfsg-1+b1), libgdk-pixbuf2.0-common (= 2.42.12+dfsg-1), libgeos-c1t64 (= 3.13.0-1), libgeos-dev (= 3.13.0-1), libgeos3.13.0 (= 3.13.0-1), libgeotiff-dev (= 1.7.3-1+b1), libgeotiff5 (= 1.7.3-1+b1), libgfortran-14-dev (= 14.2.0-8), libgfortran5 (= 14.2.0-8), libgif-dev (= 5.2.2-1+b1), libgif7 (= 5.2.2-1+b1), libgl-dev (= 1.7.0-1+b2), libgl1 (= 1.7.0-1+b2), libgl1-mesa-dri (= 24.2.7-1), libgl2ps-dev (= 1.4.2+dfsg1-2+b1), libgl2ps1.4 (= 1.4.2+dfsg1-2+b1), libglapi-mesa (= 24.2.7-1), libglew-dev (= 2.2.0-4+b2), libglew2.2 (= 2.2.0-4+b2), libglib2.0-0t64 (= 2.82.2-3), libglu1-mesa (= 9.0.2-1.1+b2), libglu1-mesa-dev (= 9.0.2-1.1+b2), libglvnd0 (= 1.7.0-1+b2), libglx-dev (= 1.7.0-1+b2), libglx-mesa0 (= 24.2.7-1), libglx0 (= 1.7.0-1+b2), libgme0 (= 0.6.3-7+b2), libgmp-dev (= 2:6.3.0+dfsg-2+b2), libgmp10 (= 2:6.3.0+dfsg-2+b2), libgmpxx4ldbl (= 2:6.3.0+dfsg-2+b2), libgnutls-dane0t64 (= 3.8.8-2), libgnutls-openssl27t64 (= 3.8.8-2), libgnutls28-dev (= 3.8.8-2), libgnutls30t64 (= 3.8.8-2), libgomp1 (= 14.2.0-8), libgpg-error0 (= 1.50-4), libgpgme11t64 (= 1.24.0-2), libgpgmepp6t64 (= 1.24.0-2), libgprofng0 (= 2.43.1-5), libgraphite2-3 (= 1.3.14-2+b1), libgsm1 (= 1.0.22-1+b2), libgssapi-krb5-2 (= 1.21.3-3), libgssrpc4t64 (= 1.21.3-3), libgstreamer-plugins-base1.0-0 (= 1.24.9-1), libgstreamer1.0-0 (= 1.24.9-1), libgtk-3-0t64 (= 3.24.43-4), libgtk-3-common (= 3.24.43-4), libgts-0.7-5t64 (= 0.7.6+darcs121130-5.2+b1), libgudev-1.0-0 (= 238-5+b1), libgvc6 (= 2.42.4-2+b1), libgvpr2 (= 2.42.4-2+b1), libharfbuzz0b (= 10.0.1-1), libhdf4-0-alt (= 4.3.0-1+b1), libhdf4-alt-dev (= 4.3.0-1+b1), libhdf5-103-1t64 (= 1.10.10+repack-4), libhdf5-cpp-103-1t64 (= 1.10.10+repack-4), libhdf5-dev (= 1.10.10+repack-4), libhdf5-fortran-102t64 (= 1.10.10+repack-4), libhdf5-hl-100t64 (= 1.10.10+repack-4), libhdf5-hl-cpp-100t64 (= 1.10.10+repack-4), libhdf5-hl-fortran-100t64 (= 1.10.10+repack-4), libhdf5-mpi-dev (= 1.10.10+repack-4), libhdf5-openmpi-103-1t64 (= 1.10.10+repack-4), libhdf5-openmpi-cpp-103-1t64 (= 1.10.10+repack-4), libhdf5-openmpi-dev (= 1.10.10+repack-4), libhdf5-openmpi-fortran-102t64 (= 1.10.10+repack-4), libhdf5-openmpi-hl-100t64 (= 1.10.10+repack-4), libhdf5-openmpi-hl-cpp-100t64 (= 1.10.10+repack-4), libhdf5-openmpi-hl-fortran-100t64 (= 1.10.10+repack-4), libheif-dev (= 1.19.3-1), libheif-plugin-dav1d (= 1.19.3-1), libheif-plugin-libde265 (= 1.19.3-1), libheif1 (= 1.19.3-1), libhogweed6t64 (= 3.10-1+b1), libhsa-runtime64-1 (= 6.1.2-2), libhsakmt1 (= 6.1.2+ds-1), libhunspell-1.7-0 (= 1.7.2+really1.7.2-10+b3), libhwasan0 (= 14.2.0-8), libhwloc-dev (= 2.11.2-1), libhwloc-plugins (= 2.11.2-1), libhwloc15 (= 2.11.2-1), libhwy1t64 (= 1.2.0-2+b1), libhyphen0 (= 2.8.8-7+b2), libibmad5 (= 52.0-2+b1), libibumad3 (= 52.0-2+b1), libibverbs-dev (= 52.0-2+b1), libibverbs1 (= 52.0-2+b1), libice-dev (= 2:1.1.1-1), libice6 (= 2:1.1.1-1), libicu-dev (= 72.1-5+b1), libicu72 (= 72.1-5+b1), libidn2-0 (= 2.3.7-2+b1), libidn2-dev (= 2.3.7-2+b1), libimagequant0 (= 2.18.0-1+b2), libimath-3-1-29t64 (= 3.1.12-1+b1), libinput-bin (= 1.26.2-1), libinput10 (= 1.26.2-1), libisl23 (= 0.27-1), libitm1 (= 14.2.0-8), libjansson4 (= 2.14-2+b3), libjbig-dev (= 2.1-6.1+b2), libjbig0 (= 2.1-6.1+b2), libjpeg-dev (= 1:2.1.5-3+b1), libjpeg62-turbo (= 1:2.1.5-3+b1), libjpeg62-turbo-dev (= 1:2.1.5-3+b1), libjs-jquery (= 3.6.1+dfsg+~3.5.14-1), libjs-jquery-ui (= 1.13.2+dfsg-1), libjs-mathjax (= 2.7.9+dfsg-1), libjs-sphinxdoc (= 7.4.7-4), libjs-underscore (= 1.13.4~dfsg+~1.11.4-3), libjson-c-dev (= 0.18+ds-1), libjson-c5 (= 0.18+ds-1), libjson-perl (= 4.10000-1), libjsoncpp-dev (= 1.9.6-2), libjsoncpp26 (= 1.9.6-2), libjxl0.9 (= 0.9.2-10+b1), libk5crypto3 (= 1.21.3-3), libkadm5clnt-mit12 (= 1.21.3-3), libkadm5srv-mit12 (= 1.21.3-3), libkdb5-10t64 (= 1.21.3-3), libkeyutils1 (= 1.6.3-4), libkim-api-dev (= 2.3.0-1+b2), libkim-api2 (= 2.3.0-1+b2), libkml-dev (= 1.3.0-12+b1), libkmlbase1t64 (= 1.3.0-12+b1), libkmlconvenience1t64 (= 1.3.0-12+b1), libkmldom1t64 (= 1.3.0-12+b1), libkmlengine1t64 (= 1.3.0-12+b1), libkmlregionator1t64 (= 1.3.0-12+b1), libkmlxsd1t64 (= 1.3.0-12+b1), libkpathsea6 (= 2024.20240313.70630+ds-5), libkrb5-3 (= 1.21.3-3), libkrb5-dev (= 1.21.3-3), libkrb5support0 (= 1.21.3-3), liblab-gamut1 (= 2.42.4-2+b1), liblapack-dev (= 3.12.0-3+b1), liblapack3 (= 3.12.0-3+b1), liblcms2-2 (= 2.16-2), libldap-2.5-0 (= 2.5.18+dfsg-3+b1), libldap-dev (= 2.5.18+dfsg-3+b1), liblerc-dev (= 4.0.0+ds-5), liblerc4 (= 4.0.0+ds-5), libllvm17t64 (= 1:17.0.6-18), libllvm19 (= 1:19.1.3-2), liblsan0 (= 14.2.0-8), libltdl-dev (= 2.4.7-8), libltdl7 (= 2.4.7-8), liblz4-1 (= 1.9.4-3+b1), liblz4-dev (= 1.9.4-3+b1), liblzma-dev (= 5.6.3-1+b1), liblzma5 (= 5.6.3-1+b1), libmagic-mgc (= 1:5.45-3+b1), libmagic1t64 (= 1:5.45-3+b1), libmariadb-dev (= 1:11.4.3-1), libmariadb-dev-compat (= 1:11.4.3-1), libmariadb3 (= 1:11.4.3-1), libmbedcrypto7t64 (= 2.28.8-1), libmd0 (= 1.1.0-2+b1), libmd4c0 (= 0.5.2-2+b1), libminizip-dev (= 1:1.3.dfsg+really1.3.1-1+b1), libminizip1t64 (= 1:1.3.dfsg+really1.3.1-1+b1), libmount1 (= 2.40.2-11), libmp3lame0 (= 3.100-6+b3), libmpc3 (= 1.3.1-1+b3), libmpfi0 (= 1.5.4+ds-4), libmpfr6 (= 4.2.1-1+b2), libmpg123-0t64 (= 1.32.9-1), libmtdev1t64 (= 1.1.6-1.2+b1), libmunge2 (= 0.5.15-4+b1), libncursesw6 (= 6.5-2+b1), libnetcdf-dev (= 1:4.9.2-7), libnetcdf19t64 (= 1:4.9.2-7), libnettle8t64 (= 3.10-1+b1), libnghttp2-14 (= 1.64.0-1), libnghttp2-dev (= 1.64.0-1), libnghttp3-9 (= 1.4.0-1+b1), libngtcp2-16 (= 1.6.0-1), libngtcp2-crypto-gnutls8 (= 1.6.0-1), libnl-3-200 (= 3.7.0-0.3+b1), libnl-3-dev (= 3.7.0-0.3+b1), libnl-route-3-200 (= 3.7.0-0.3+b1), libnl-route-3-dev (= 3.7.0-0.3+b1), libnorm1t64 (= 1.5.9+dfsg-3.1+b1), libnsl2 (= 1.3.0-3+b3), libnspr4 (= 2:4.35-1.1+b1), libnss3 (= 2:3.105-2), libnuma-dev (= 2.0.18-1+b1), libnuma1 (= 2.0.18-1+b1), libodbc2 (= 2.3.12-1+b3), libodbccr2 (= 2.3.12-1+b3), libodbcinst2 (= 2.3.12-1+b3), libogdi-dev (= 4.1.1+ds-5), libogdi4.1 (= 4.1.1+ds-5), libogg-dev (= 1.3.5-3+b2), libogg0 (= 1.3.5-3+b2), libopenexr-3-1-30 (= 3.1.5-5.1+b3), libopengl-dev (= 1.7.0-1+b2), libopengl0 (= 1.7.0-1+b2), libopenjp2-7 (= 2.5.0-2+b4), libopenjp2-7-dev (= 2.5.0-2+b4), libopenmpi-dev (= 5.0.5-6), libopenmpi3t64 (= 5.0.5-6), libopenmpt0t64 (= 0.7.9-1), libopus0 (= 1.5.2-2), liborc-0.4-0t64 (= 1:0.4.40-1), libp11-kit-dev (= 0.25.5-2+b1), libp11-kit0 (= 0.25.5-2+b1), libpam-modules (= 1.5.3-7+b1), libpam-modules-bin (= 1.5.3-7+b1), libpam-runtime (= 1.5.3-7), libpam-systemd (= 257~rc2-3), libpam0g (= 1.5.3-7+b1), libpango-1.0-0 (= 1.54.0+ds-3), libpangocairo-1.0-0 (= 1.54.0+ds-3), libpangoft2-1.0-0 (= 1.54.0+ds-3), libpaper-utils (= 1.1.29+b2), libpaper1 (= 1.1.29+b2), libpathplan4 (= 2.42.4-2+b1), libpciaccess0 (= 0.17-3+b2), libpcre2-16-0 (= 10.44-4), libpcre2-32-0 (= 10.44-4), libpcre2-8-0 (= 10.44-4), libpcre2-dev (= 10.44-4), libpcre2-posix3 (= 10.44-4), libpcsclite1 (= 2.3.0-3), libpdfbox-java (= 1:1.8.16-5), libperl5.40 (= 5.40.0-7), libpgm-5.3-0t64 (= 5.3.128~dfsg-2.1+b1), libpipeline1 (= 1.5.8-1), libpixman-1-0 (= 0.44.0-3), libpkgconf3 (= 1.8.1-4), libpmix-dev (= 5.0.3-2+b1), libpmix2t64 (= 5.0.3-2+b1), libpnetcdf-dev (= 1.13.0-1+b1), libpnetcdf0d (= 1.13.0-1+b1), libpng-dev (= 1.6.44-2), libpng16-16t64 (= 1.6.44-2), libpoppler-dev (= 24.08.0-3), libpoppler-private-dev (= 24.08.0-3), libpoppler140 (= 24.08.0-3), libpotrace0 (= 1.16-2+b2), libpq-dev (= 17.1-1), libpq5 (= 17.1-1), libproc2-0 (= 2:4.0.4-6), libproj-dev (= 9.5.0-1), libproj25 (= 9.5.0-1), libpsl-dev (= 0.21.2-1.1+b1), libpsl5t64 (= 0.21.2-1.1+b1), libptexenc1 (= 2024.20240313.70630+ds-5), libpython3-all-dev (= 3.12.7-1), libpython3-dev (= 3.12.7-1), libpython3-stdlib (= 3.12.7-1), libpython3.12-dev (= 3.12.7-3), libpython3.12-minimal (= 3.12.7-3), libpython3.12-stdlib (= 3.12.7-3), libpython3.12t64 (= 3.12.7-3), libpython3.13 (= 3.13.0-2), libpython3.13-dev (= 3.13.0-2), libpython3.13-minimal (= 3.13.0-2), libpython3.13-stdlib (= 3.13.0-2), libqhull-dev (= 2020.2-6+b2), libqhull-r8.0 (= 2020.2-6+b2), libqhull8.0 (= 2020.2-6+b2), libqhullcpp8.0 (= 2020.2-6+b2), libqt5concurrent5t64 (= 5.15.15+dfsg-2), libqt5core5t64 (= 5.15.15+dfsg-2), libqt5dbus5t64 (= 5.15.15+dfsg-2), libqt5designer5 (= 5.15.15-2), libqt5designercomponents5 (= 5.15.15-2), libqt5gui5t64 (= 5.15.15+dfsg-2), libqt5help5 (= 5.15.15-2), libqt5network5t64 (= 5.15.15+dfsg-2), libqt5opengl5-dev (= 5.15.15+dfsg-2), libqt5opengl5t64 (= 5.15.15+dfsg-2), libqt5positioning5 (= 5.15.15+dfsg-2), libqt5printsupport5t64 (= 5.15.15+dfsg-2), libqt5qml5 (= 5.15.15+dfsg-3), libqt5qmlmodels5 (= 5.15.15+dfsg-3), libqt5qmlworkerscript5 (= 5.15.15+dfsg-3), libqt5quick5 (= 5.15.15+dfsg-3), libqt5quickparticles5 (= 5.15.15+dfsg-3), libqt5quickshapes5 (= 5.15.15+dfsg-3), libqt5quicktest5 (= 5.15.15+dfsg-3), libqt5quickwidgets5 (= 5.15.15+dfsg-3), libqt5sensors5 (= 5.15.15-2), libqt5sql5-sqlite (= 5.15.15+dfsg-2), libqt5sql5t64 (= 5.15.15+dfsg-2), libqt5test5t64 (= 5.15.15+dfsg-2), libqt5webchannel5 (= 5.15.15-2), libqt5webkit5 (= 5.212.0~alpha4-41), libqt5webkit5-dev (= 5.212.0~alpha4-41), libqt5widgets5t64 (= 5.15.15+dfsg-2), libqt5xml5t64 (= 5.15.15+dfsg-2), librabbitmq4 (= 0.14.0-1), libraqm0 (= 0.10.1-1+b2), librav1e0.7 (= 0.7.1-7+b2), librdmacm1t64 (= 52.0-2+b1), libreadline8t64 (= 8.2-5), librhash1 (= 1.4.5-1), librist4 (= 0.2.10+dfsg-2), librsvg2-2 (= 2.59.1+dfsg-1), librtmp-dev (= 2.4+20151223.gitfa8646d.1-2+b5), librtmp1 (= 2.4+20151223.gitfa8646d.1-2+b5), librttopo-dev (= 1.1.0-3+b2), librttopo1 (= 1.1.0-3+b2), libsasl2-2 (= 2.1.28+dfsg1-8), libsasl2-modules-db (= 2.1.28+dfsg1-8), libseccomp2 (= 2.5.5-1+b3), libselinux1 (= 3.7-3+b1), libsemanage-common (= 3.7-2), libsemanage2 (= 3.7-2+b1), libsensors-config (= 1:3.6.0-10), libsensors5 (= 1:3.6.0-10+b1), libsepol2 (= 3.7-1), libsframe1 (= 2.43.1-5), libsharpyuv-dev (= 1.4.0-0.1+b1), libsharpyuv0 (= 1.4.0-0.1+b1), libshine3 (= 3.1.1-2+b2), libsm-dev (= 2:1.2.4-1), libsm6 (= 2:1.2.4-1), libsmartcols1 (= 2.40.2-11), libsnappy1v5 (= 1.2.1-1+b1), libsodium23 (= 1.0.18-1+b2), libsoxr0 (= 0.1.3-4+b2), libspatialite-dev (= 5.1.0-3+b2), libspatialite8t64 (= 5.1.0-3+b2), libspeex1 (= 1.2.1-3), libsqlite3-0 (= 3.46.1-1), libsqlite3-dev (= 3.46.1-1), libsrt1.5-gnutls (= 1.5.4-1), libssh-4 (= 0.11.1-1), libssh2-1-dev (= 1.11.1-1), libssh2-1t64 (= 1.11.1-1), libssl-dev (= 3.3.2-2), libssl3t64 (= 3.3.2-2), libstdc++-14-dev (= 14.2.0-8), libstdc++6 (= 14.2.0-8), libsuperlu-dev (= 7.0.0+dfsg1-2), libsuperlu7 (= 7.0.0+dfsg1-2), libsvtav1enc2 (= 2.2.1+dfsg-2), libswresample-dev (= 7:7.1-3), libswresample5 (= 7:7.1-3), libswscale-dev (= 7:7.1-3), libswscale8 (= 7:7.1-3), libsymspg-dev (= 2.5.0-1+b1), libsymspg2 (= 2.5.0-1+b1), libsynctex2 (= 2024.20240313.70630+ds-5), libsystemd-shared (= 257~rc2-3), libsystemd0 (= 257~rc2-3), libsz2 (= 1.1.3-1+b1), libtasn1-6 (= 4.19.0-3+b3), libtasn1-6-dev (= 4.19.0-3+b3), libtbb-dev (= 2021.12.0-1), libtbb12 (= 2021.12.0-1), libtbbbind-2-5 (= 2021.12.0-1), libtbbmalloc2 (= 2021.12.0-1), libtcl8.6 (= 8.6.15+dfsg-2), libteckit0 (= 2.5.12+ds1-1+b1), libtexlua53-5 (= 2024.20240313.70630+ds-5), libtext-iconv-perl (= 1.7-8+b4), libthai-data (= 0.1.29-2), libthai0 (= 0.1.29-2+b1), libtheora-dev (= 1.1.1+dfsg.1-17), libtheora0 (= 1.1.1+dfsg.1-17), libtiff-dev (= 4.5.1+git230720-5), libtiff6 (= 4.5.1+git230720-5), libtiffxx6 (= 4.5.1+git230720-5), libtinfo6 (= 6.5-2+b1), libtirpc-common (= 1.3.4+ds-1.3), libtirpc-dev (= 1.3.4+ds-1.3+b1), libtirpc3t64 (= 1.3.4+ds-1.3+b1), libtk8.6 (= 8.6.15-1), libtool (= 2.4.7-8), libtsan2 (= 14.2.0-8), libtwolame0 (= 0.4.0-2+b2), libubsan1 (= 14.2.0-8), libuchardet0 (= 0.0.8-1+b2), libucx0 (= 1.17.0+ds-3), libudev1 (= 257~rc2-3), libudfread0 (= 1.1.2-1+b2), libunbound8 (= 1.22.0-1), libunistring5 (= 1.2-1+b1), libunwind8 (= 1.6.2-3.1), liburiparser-dev (= 0.9.8+dfsg-2), liburiparser1 (= 0.9.8+dfsg-2), libutfcpp-dev (= 3.2.5+really3.2.4-2), libuuid1 (= 2.40.2-11), libuv1t64 (= 1.48.0-7), libva-drm2 (= 2.22.0-1+b1), libva-x11-2 (= 2.22.0-1+b1), libva2 (= 2.22.0-1+b1), libvdpau1 (= 1.5-3+b1), libvorbis0a (= 1.3.7-2+b1), libvorbisenc2 (= 1.3.7-2+b1), libvorbisfile3 (= 1.3.7-2+b1), libvoro++1 (= 0.5+revert-to-0.4.6+dfsg1-1+b1), libvpx9 (= 1.14.1-1+b1), libvtk9-dev (= 9.3.0+dfsg1-1+b3), libvtk9-java (= 9.3.0+dfsg1-1+b3), libvtk9-qt-dev (= 9.3.0+dfsg1-1+b3), libvtk9.3 (= 9.3.0+dfsg1-1+b3), libvtk9.3-qt (= 9.3.0+dfsg1-1+b3), libvulkan-dev (= 1.3.296.0-1), libvulkan1 (= 1.3.296.0-1), libwacom-common (= 2.13.0-1), libwacom9 (= 2.13.0-1), libwayland-client0 (= 1.23.0-1+b1), libwayland-cursor0 (= 1.23.0-1+b1), libwayland-egl1 (= 1.23.0-1+b1), libwayland-server0 (= 1.23.0-1+b1), libwebp-dev (= 1.4.0-0.1+b1), libwebp7 (= 1.4.0-0.1+b1), libwebpdecoder3 (= 1.4.0-0.1+b1), libwebpdemux2 (= 1.4.0-0.1+b1), libwebpmux3 (= 1.4.0-0.1+b1), libwoff1 (= 1.0.2-2+b2), libx11-6 (= 2:1.8.10-2), libx11-data (= 2:1.8.10-2), libx11-dev (= 2:1.8.10-2), libx11-xcb1 (= 2:1.8.10-2), libx264-164 (= 2:0.164.3108+git31e19f9-2), libx265-209 (= 3.6-3+b1), libxapian30 (= 1.4.25-1+b1), libxau-dev (= 1:1.0.11-1), libxau6 (= 1:1.0.11-1), libxaw7 (= 2:1.0.16-1), libxcb-dri2-0 (= 1.17.0-2+b1), libxcb-dri3-0 (= 1.17.0-2+b1), libxcb-glx0 (= 1.17.0-2+b1), libxcb-icccm4 (= 0.4.2-1), libxcb-image0 (= 0.4.0-2+b2), libxcb-keysyms1 (= 0.4.0-1+b3), libxcb-present0 (= 1.17.0-2+b1), libxcb-randr0 (= 1.17.0-2+b1), libxcb-render-util0 (= 0.3.9-1+b2), libxcb-render0 (= 1.17.0-2+b1), libxcb-shape0 (= 1.17.0-2+b1), libxcb-shm0 (= 1.17.0-2+b1), libxcb-sync1 (= 1.17.0-2+b1), libxcb-util1 (= 0.4.0-1+b2), libxcb-xfixes0 (= 1.17.0-2+b1), libxcb-xinerama0 (= 1.17.0-2+b1), libxcb-xinput0 (= 1.17.0-2+b1), libxcb-xkb1 (= 1.17.0-2+b1), libxcb1 (= 1.17.0-2+b1), libxcb1-dev (= 1.17.0-2+b1), libxcomposite1 (= 1:0.4.6-1), libxcursor1 (= 1:1.2.2-1+b1), libxdamage1 (= 1:1.1.6-1+b2), libxdmcp-dev (= 1:1.1.2-3+b2), libxdmcp6 (= 1:1.1.2-3+b2), libxerces-c-dev (= 3.2.4+debian-1.3+b1), libxerces-c3.2t64 (= 3.2.4+debian-1.3+b1), libxext-dev (= 2:1.3.4-1+b2), libxext6 (= 2:1.3.4-1+b2), libxfixes3 (= 1:6.0.0-2+b2), libxft-dev (= 2.3.6-1+b2), libxft2 (= 2.3.6-1+b2), libxi6 (= 2:1.8.2-1), libxinerama1 (= 2:1.1.4-3+b2), libxkbcommon-x11-0 (= 1.7.0-1), libxkbcommon0 (= 1.7.0-1), libxml2 (= 2.12.7+dfsg+really2.9.14-0.2+b1), libxml2-dev (= 2.12.7+dfsg+really2.9.14-0.2+b1), libxmu6 (= 2:1.1.3-3+b3), libxnvctrl0 (= 535.171.04-1+b1), libxpm4 (= 1:3.5.17-1+b2), libxrandr2 (= 2:1.5.4-1+b1), libxrender-dev (= 1:0.9.10-1.1+b2), libxrender1 (= 1:0.9.10-1.1+b2), libxshmfence1 (= 1.3-1+b2), libxslt1.1 (= 1.1.35-1.1+b1), libxss-dev (= 1:1.2.3-1+b2), libxss1 (= 1:1.2.3-1+b2), libxt-dev (= 1:1.2.1-1.2+b1), libxt6t64 (= 1:1.2.1-1.2+b1), libxtst6 (= 2:1.2.3-1.1+b2), libxvidcore4 (= 2:1.3.7-1+b2), libxxf86vm1 (= 1:1.1.4-1+b3), libxxhash0 (= 0.8.2-2+b2), libyuv0 (= 0.0.1888.20241107-1), libz3-4 (= 4.13.3-1), libzmq5 (= 4.3.5-1+b3), libzstd-dev (= 1.5.6+dfsg-1+b1), libzstd1 (= 1.5.6+dfsg-1+b1), libzvbi-common (= 0.2.42-2), libzvbi0t64 (= 0.2.42-2), libzzip-0-13t64 (= 0.13.72+dfsg.1-1.3), linux-libc-dev (= 6.11.7-1), login.defs (= 1:4.16.0-5), m4 (= 1.4.19-4), make (= 4.3-4.1+b1), man-db (= 2.13.0-1), mariadb-common (= 1:11.4.3-1), mawk (= 1.3.4.20240905-1), media-types (= 10.1.0), mesa-libgallium (= 24.2.7-1), mount (= 2.40.2-11), mpi-default-bin (= 1.17), mpi-default-dev (= 1.17), mysql-common (= 5.8+1.1.1), ncurses-base (= 6.5-2), ncurses-bin (= 6.5-2+b1), netbase (= 6.4), nettle-dev (= 3.10-1+b1), ocl-icd-libopencl1 (= 2.3.2-1+b2), ocl-icd-opencl-dev (= 2.3.2-1+b2), opencl-c-headers (= 3.0~2024.05.08-1), opencl-clhpp-headers (= 3.0~2024.05.08-1), openjdk-21-jdk (= 21.0.5+11-1), openjdk-21-jdk-headless (= 21.0.5+11-1), openjdk-21-jre (= 21.0.5+11-1), openjdk-21-jre-headless (= 21.0.5+11-1), openmpi-bin (= 5.0.5-6), openmpi-common (= 5.0.5-6), openssh-client (= 1:9.9p1-3), openssl (= 3.3.2-2), openssl-provider-legacy (= 3.3.2-2), passwd (= 1:4.16.0-5), patch (= 2.7.6-7+b1), perl (= 5.40.0-7), perl-base (= 5.40.0-7), perl-modules-5.40 (= 5.40.0-7), pkg-config (= 1.8.1-4), pkgconf (= 1.8.1-4), pkgconf-bin (= 1.8.1-4), po-debconf (= 1.0.21+nmu1), preview-latex-style (= 13.2-1), procps (= 2:4.0.4-6), proj-data (= 9.5.0-1), pybuild-plugin-pyproject (= 6.20241024), python-babel-localedata (= 2.16.0-1), python3 (= 3.12.7-1), python3-alabaster (= 0.7.16-0.1), python3-all (= 3.12.7-1), python3-all-dev (= 3.12.7-1), python3-autocommand (= 2.2.2-3), python3-babel (= 2.16.0-1), python3-breathe (= 4.35.0-3), python3-build (= 1.2.2-1), python3-certifi (= 2024.8.30+dfsg-1), python3-chardet (= 5.2.0+dfsg-1), python3-charset-normalizer (= 3.4.0-1+b1), python3-defusedxml (= 0.7.1-2), python3-dev (= 3.12.7-1), python3-docutils (= 0.21.2+dfsg-2), python3-enchant (= 3.2.2-1), python3-idna (= 3.8-2), python3-imagesize (= 1.4.1-1), python3-importlib-metadata (= 8.5.0-1), python3-inflect (= 7.3.1-2), python3-installer (= 0.7.0+dfsg1-3), python3-jaraco.context (= 6.0.0-1), python3-jaraco.functools (= 4.1.0-1), python3-jaraco.text (= 4.0.0-1), python3-jinja2 (= 3.1.3-1), python3-markupsafe (= 2.1.5-1+b3), python3-minimal (= 3.12.7-1), python3-more-itertools (= 10.5.0-1), python3-mpi4py (= 4.0.0-9+b1), python3-packaging (= 24.2-1), python3-pip-whl (= 24.3.1+dfsg-1), python3-pkg-resources (= 75.2.0-1), python3-pygments (= 2.18.0+dfsg-1), python3-pyproject-hooks (= 1.2.0-1), python3-requests (= 2.32.3+dfsg-1), python3-roman (= 4.2-1), python3-setuptools (= 75.2.0-1), python3-setuptools-whl (= 75.2.0-1), python3-snowballstemmer (= 2.2.0-4), python3-sphinx (= 7.4.7-4), python3-sphinx-tabs (= 3.4.4-1), python3-sphinxcontrib.jquery (= 4.1-5), python3-sphinxcontrib.spelling (= 7.7.0-1), python3-toml (= 0.10.2-1), python3-typeguard (= 4.4.1-1), python3-typing-extensions (= 4.12.2-2), python3-urllib3 (= 2.0.7-2), python3-venv (= 3.12.7-1), python3-vtk9 (= 9.3.0+dfsg1-1+b3), python3-wheel (= 0.45.0-1), python3-zipp (= 3.21.0-1), python3.12 (= 3.12.7-3), python3.12-dev (= 3.12.7-3), python3.12-minimal (= 3.12.7-3), python3.12-venv (= 3.12.7-3), python3.13 (= 3.13.0-2), python3.13-dev (= 3.13.0-2), python3.13-minimal (= 3.13.0-2), qdoc-qt5 (= 5.15.15-2), qhelpgenerator-qt5 (= 5.15.15-2), qt5-assistant (= 5.15.15-2), qt5-qmake (= 5.15.15+dfsg-2), qt5-qmake-bin (= 5.15.15+dfsg-2), qt5-qmltooling-plugins (= 5.15.15+dfsg-3), qtattributionsscanner-qt5 (= 5.15.15-2), qtbase5-dev (= 5.15.15+dfsg-2), qtbase5-dev-tools (= 5.15.15+dfsg-2), qtchooser (= 66-2+b1), qtdeclarative5-dev (= 5.15.15+dfsg-3), qtdeclarative5-dev-tools (= 5.15.15+dfsg-3), qttools5-dev (= 5.15.15-2), qttools5-dev-tools (= 5.15.15-2), qttools5-private-dev (= 5.15.15-2), readline-common (= 8.2-5), rpcsvc-proto (= 1.4.3-1+b1), sed (= 4.9-2+b1), sensible-utils (= 0.0.24), sgml-base (= 1.31), shared-mime-info (= 2.4-5+b1), sphinx-common (= 7.4.7-4), sphinx-rtd-theme-common (= 3.0.1+dfsg-1), systemd (= 257~rc2-3), systemd-sysv (= 257~rc2-3), sysvinit-utils (= 3.11-1), t1utils (= 1.41-4+b1), tar (= 1.35+dfsg-3+b1), tcl (= 8.6.14), tcl-dev (= 8.6.14), tcl8.6 (= 8.6.15+dfsg-2), tcl8.6-dev (= 8.6.15+dfsg-2), tex-common (= 6.18), tex-gyre (= 20180621-6), texlive-base (= 2024.20241102-1), texlive-binaries (= 2024.20240313.70630+ds-5), texlive-fonts-recommended (= 2024.20241102-1), texlive-latex-base (= 2024.20241102-1), texlive-latex-extra (= 2024.20241102-1), texlive-latex-recommended (= 2024.20241102-1), texlive-pictures (= 2024.20241102-1), tk (= 8.6.14), tk-dev (= 8.6.14), tk8.6 (= 8.6.15-1), tk8.6-dev (= 8.6.15-1), tzdata (= 2024b-3), ucf (= 3.0043+nmu1), unixodbc-common (= 2.3.12-1), unixodbc-dev (= 2.3.12-1+b3), util-linux (= 2.40.2-11), uuid-dev (= 2.40.2-11), voro++-dev (= 0.5+revert-to-0.4.6+dfsg1-1+b1), vtk9 (= 9.3.0+dfsg1-1+b3), x11-common (= 1:7.7+23.1), x11proto-dev (= 2024.1-1), xdg-utils (= 1.1.3-4.1), xfonts-encodings (= 1:1.0.4-2.2), xfonts-utils (= 1:7.7+7), xkb-data (= 2.42-1), xml-core (= 0.19), xorg-sgml-doctools (= 1:1.11-1.1), xtrans-dev (= 1.4.0-1), xz-utils (= 5.6.3-1+b1), zlib1g (= 1:1.3.dfsg+really1.3.1-1+b1), zlib1g-dev (= 1:1.3.dfsg+really1.3.1-1+b1) Environment: DEB_BUILD_OPTIONS="parallel=4" LANG="en_US.UTF-8" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1709139102" +------------------------------------------------------------------------------+ | Package contents | +------------------------------------------------------------------------------+ lammps-data_20240207+dfsg-1.1_all.deb ------------------------------------- new Debian package, version 2.0. size 9539684 bytes: control archive=6932 bytes. 1024 bytes, 24 lines control 19690 bytes, 247 lines md5sums Package: lammps-data Source: lammps Version: 20240207+dfsg-1.1 Architecture: all Maintainer: Debian Science Maintainers Installed-Size: 53573 Section: doc Priority: optional Multi-Arch: foreign Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator. Data (potentials) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . The package contains data (potentials) drwxr-xr-x root/root 0 2024-02-28 16:51 ./ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/lammps-data/ -rw-r--r-- root/root 3463 2024-02-28 16:51 ./usr/share/doc/lammps-data/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/lammps-data/copyright drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/emacs/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/emacs/site-lisp/ -rw-r--r-- root/root 6668 2024-02-13 23:51 ./usr/share/emacs/site-lisp/lammps-mode.el drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/potentials/ -rw-r--r-- root/root 36549 2024-02-13 23:51 ./usr/share/lammps/potentials/Ag_u3.eam -rw-r--r-- root/root 3026369 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCu.adp -rw-r--r-- root/root 487738 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCu.bop.table -rw-r--r-- root/root 298807 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCu.eam.alloy -rw-r--r-- root/root 975942 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCuH.bop.table -rw-r--r-- root/root 2268472 2024-02-13 23:51 ./usr/share/lammps/potentials/AlFe_mm.eam.fs -rw-r--r-- root/root 170699 2024-02-13 23:51 ./usr/share/lammps/potentials/AlO.eam.alloy -rw-r--r-- root/root 468 2024-02-13 23:51 ./usr/share/lammps/potentials/AlO.streitz -rw-r--r-- root/root 2313 2024-02-13 23:51 ./usr/share/lammps/potentials/AlSiMgCuFe.meam -rw-r--r-- root/root 2040968 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_Batra_2019.agni -rw-r--r-- root/root 35756 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_jnp.eam -rw-r--r-- root/root 840424 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_jpc.agni -rw-r--r-- root/root 756379 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_mm.eam.fs -rw-r--r-- root/root 279929 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_prb.agni -rw-r--r-- root/root 710424 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_zhou.eam.alloy -rw-r--r-- root/root 36548 2024-02-13 23:51 ./usr/share/lammps/potentials/Au_u3.eam -rw-r--r-- root/root 6592 2024-02-13 23:51 ./usr/share/lammps/potentials/BN.extep -rw-r--r-- root/root 5614 2024-02-13 23:51 ./usr/share/lammps/potentials/BNC.tersoff -rw-r--r-- root/root 2050 2024-02-13 23:51 ./usr/share/lammps/potentials/BNCH-old.ILP -rw-r--r-- root/root 2439 2024-02-13 23:51 ./usr/share/lammps/potentials/BNCH.ILP -rw-r--r-- root/root 1985 2024-02-13 23:51 ./usr/share/lammps/potentials/BNC_MBD_bulk.ILP -rw-r--r-- root/root 1979 2024-02-13 23:51 ./usr/share/lammps/potentials/BNC_TS_bulk.ILP -rw-r--r-- root/root 330 2024-02-13 23:51 ./usr/share/lammps/potentials/Bi.meam -rw-r--r-- root/root 862 2024-02-13 23:51 ./usr/share/lammps/potentials/C.drip -rw-r--r-- root/root 4000 2024-02-13 23:51 ./usr/share/lammps/potentials/C.lcbop -rwxr-xr-x root/root 4941 2024-02-13 23:51 ./usr/share/lammps/potentials/CBNOH.aip.water.2dm -rw-r--r-- root/root 350 2024-02-13 23:51 ./usr/share/lammps/potentials/CC.KC -rw-r--r-- root/root 333 2024-02-13 23:51 ./usr/share/lammps/potentials/CC.KC-full -rw-r--r-- root/root 927 2024-02-13 23:51 ./usr/share/lammps/potentials/CC.Lebedeva -rw-r--r-- root/root 487719 2024-02-13 23:51 ./usr/share/lammps/potentials/CCu_v2.bop.table -rw-r--r-- root/root 833 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.KC -rw-r--r-- root/root 926706 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.airebo -rw-r--r-- root/root 926959 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.airebo-m -rw-r--r-- root/root 926698 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.rebo -rw-r--r-- root/root 1882 2024-02-13 23:51 ./usr/share/lammps/potentials/CHAu.ILP -rw-r--r-- root/root 895 2024-02-13 23:51 ./usr/share/lammps/potentials/CH_taper.KC -rw-r--r-- root/root 2599 2024-02-13 23:51 ./usr/share/lammps/potentials/COH.DMC.aip.water.2dm -rw-r--r-- root/root 115738 2024-02-13 23:51 ./usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapcoeff -rw-r--r-- root/root 131 2024-02-13 23:51 ./usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapparam -rw-r--r-- root/root 390031 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTe.bop.table -rw-r--r-- root/root 2177 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTe.sw -rw-r--r-- root/root 847513 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTeSe.bop.table -rw-r--r-- root/root 780327 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTeZn.bop.table -rw-r--r-- root/root 38476 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTeZnSeHgS0.sw -rw-r--r-- root/root 849938 2024-02-13 23:51 ./usr/share/lammps/potentials/CdZnTe_v1.bop.table -rw-r--r-- root/root 845127 2024-02-13 23:51 ./usr/share/lammps/potentials/CdZnTe_v2.bop.table -rw-r--r-- root/root 369349 2024-02-13 23:51 ./usr/share/lammps/potentials/CoAl.eam.alloy -rw-r--r-- root/root 435691 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu-PBE-core-rep.ace -rw-r--r-- root/root 115 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu.meam -rw-r--r-- root/root 3011 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu.nn.mliap.model -rw-r--r-- root/root 301 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu.snap.mliap.descriptor -rw-r--r-- root/root 487734 2024-02-13 23:51 ./usr/share/lammps/potentials/CuH.bop.table -rw-r--r-- root/root 85194 2024-02-13 23:51 ./usr/share/lammps/potentials/CuNi.eam.alloy -rw-r--r-- root/root 339164 2024-02-13 23:51 ./usr/share/lammps/potentials/CuTa.eam.alloy -rw-r--r-- root/root 745611 2024-02-13 23:51 ./usr/share/lammps/potentials/CuTa_eam.poly -rw-r--r-- root/root 2268409 2024-02-13 23:51 ./usr/share/lammps/potentials/CuZr_mm.eam.fs -rw-r--r-- root/root 1122947 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Huan_2019_fp1.agni -rw-r--r-- root/root 980167 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Huan_2019_fp2.agni -rw-r--r-- root/root 468 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snap -rw-r--r-- root/root 11224 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snapcoeff -rw-r--r-- root/root 434 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snapparam -rw-r--r-- root/root 448 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snap -rw-r--r-- root/root 1542 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snapcoeff -rw-r--r-- root/root 434 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snapparam -rw-r--r-- root/root 706532 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_mishin1.eam.alloy -rw-r--r-- root/root 36640 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_smf7.eam -rw-r--r-- root/root 36588 2024-02-13 23:51 ./usr/share/lammps/potentials/Cu_u3.eam -rw-r--r-- root/root 36569 2024-02-13 23:51 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Build-Ids: 41cf2b6e06298c7137de233fb6916fa6bf7617e4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/debug/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/debug/.build-id/41/ -rw-r--r-- root/root 28536 2024-02-28 16:51 ./usr/lib/debug/.build-id/41/cf2b6e06298c7137de233fb6916fa6bf7617e4.debug drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/doc/lammps-dbgsym -> lammps lammps-doc_20240207+dfsg-1.1_all.deb ------------------------------------ new Debian package, version 2.0. size 54074856 bytes: control archive=29416 bytes. 1101 bytes, 26 lines control 96375 bytes, 1184 lines md5sums Package: lammps-doc Source: lammps Version: 20240207+dfsg-1.1 Architecture: all Maintainer: Debian Science Maintainers Installed-Size: 100038 Depends: libjs-mathjax, libjs-jquery, libjs-underscore Recommends: lammps-examples Section: doc Priority: optional Multi-Arch: foreign Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (documentation) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . 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28240 2024-02-28 16:51 ./usr/share/doc/lammps/html/thermo.html -rw-r--r-- root/root 42976 2024-02-28 16:51 ./usr/share/doc/lammps/html/thermo_modify.html -rw-r--r-- root/root 56375 2024-02-28 16:51 ./usr/share/doc/lammps/html/thermo_style.html -rw-r--r-- root/root 30551 2024-02-28 16:51 ./usr/share/doc/lammps/html/third_order.html -rw-r--r-- root/root 32571 2024-02-28 16:51 ./usr/share/doc/lammps/html/timer.html -rw-r--r-- root/root 28025 2024-02-28 16:51 ./usr/share/doc/lammps/html/timestep.html -rw-r--r-- root/root 26313 2024-02-28 16:51 ./usr/share/doc/lammps/html/uncompute.html -rw-r--r-- root/root 26046 2024-02-28 16:51 ./usr/share/doc/lammps/html/undump.html -rw-r--r-- root/root 26219 2024-02-28 16:51 ./usr/share/doc/lammps/html/unfix.html -rw-r--r-- root/root 38430 2024-02-28 16:51 ./usr/share/doc/lammps/html/units.html -rw-r--r-- root/root 126119 2024-02-28 16:51 ./usr/share/doc/lammps/html/variable.html -rw-r--r-- root/root 42054 2024-02-28 16:51 ./usr/share/doc/lammps/html/velocity.html -rw-r--r-- root/root 26596 2024-02-28 16:51 ./usr/share/doc/lammps/html/write_coeff.html -rw-r--r-- root/root 34733 2024-02-28 16:51 ./usr/share/doc/lammps/html/write_data.html -rw-r--r-- root/root 36443 2024-02-28 16:51 ./usr/share/doc/lammps/html/write_dump.html -rw-r--r-- root/root 30754 2024-02-28 16:51 ./usr/share/doc/lammps/html/write_restart.html lammps-examples_20240207+dfsg-1.1_all.deb ----------------------------------------- new Debian package, version 2.0. size 45419824 bytes: control archive=78248 bytes. 1054 bytes, 25 lines control 321998 bytes, 3302 lines md5sums Package: lammps-examples Source: lammps Version: 20240207+dfsg-1.1 Architecture: all Maintainer: Debian Science Maintainers Installed-Size: 216480 Recommends: lammps Section: doc Priority: optional Multi-Arch: foreign Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (examples) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . The package contains example scripts and benchmarks. drwxr-xr-x root/root 0 2024-02-28 16:51 ./ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/lammps-examples/ -rw-r--r-- root/root 3463 2024-02-28 16:51 ./usr/share/doc/lammps-examples/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/lammps-examples/copyright lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/doc/lammps-examples/examples -> ../../lammps/examples drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/bench/ -rw-r--r-- root/root 36575 2024-02-13 23:51 ./usr/share/lammps/bench/Cu_u3.eam drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/bench/POTENTIALS/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/bench/POTENTIALS/CH.airebo -> 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root/root 5896 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/bocs/log.27Nov18.methanol.g++.4 -rw-r--r-- root/root 22318 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/bocs/methanol.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/ -rw-r--r-- root/root 1161 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/in2d.velocity -rw-r--r-- root/root 6399 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.1 -rw-r--r-- root/root 6405 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/ -rw-r--r-- root/root 1591 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/in2d.ellipsoid -rw-r--r-- root/root 1584 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/in3d.ellipsoid -rw-r--r-- root/root 9056 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.1 -rw-r--r-- root/root 9057 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.4 -rw-r--r-- root/root 9047 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.1 -rw-r--r-- root/root 9047 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/point/ -rw-r--r-- root/root 1005 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/point/in2d.point -rw-r--r-- root/root 1009 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/point/in3d.point -rw-r--r-- root/root 5873 2024-02-13 23:51 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./usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in2d.sphere.g++.4 -rw-r--r-- root/root 6554 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.1 -rw-r--r-- root/root 6554 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/ -rw-r--r-- root/root 1491 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in2d.abp -rw-r--r-- root/root 1949 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in3d.ideal_abp -rw-r--r-- root/root 10158 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.1 -rw-r--r-- root/root 10164 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.4 -rw-r--r-- root/root 9700 2024-02-13 23:51 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./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.gmres.g++.4 -rw-r--r-- root/root 7242 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.icc.g++.1 -rw-r--r-- root/root 7243 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.icc.g++.4 -rw-r--r-- root/root 4829 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.dof.g++.1 -rw-r--r-- root/root 4830 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.dof.g++.4 -rw-r--r-- root/root 4677 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.gmres.g++.1 -rw-r--r-- root/root 4679 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.gmres.g++.4 -rw-r--r-- root/root 4693 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.icc.g++.1 -rw-r--r-- root/root 4694 2024-02-13 23:51 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2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/diffraction/in.BulkNi -rw-r--r-- root/root 2459 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/diffraction/log.27Nov18.BulkNi.g++.1 -rw-r--r-- root/root 2456 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/diffraction/log.27Nov18.BulkNi.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/ -rw-r--r-- root/root 881 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/ -rw-r--r-- root/root 800 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/in.dpd -rw-r--r-- root/root 6233 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.1 -rw-r--r-- root/root 6232 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 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8037 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.10Mar21.dpdext.g++.4 -rw-r--r-- root/root 6293 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.1 -rw-r--r-- root/root 6296 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce.data -> ../dpd_tstat/cg_spce.data lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce_table.pot -> ../dpd_tstat/cg_spce_table.pot -rw-r--r-- root/root 611 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat -rw-r--r-- root/root 3962 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.1 -rw-r--r-- 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./usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-pppm-ffield -rw-r--r-- root/root 6245 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.1 -rw-r--r-- root/root 6261 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.4 -rw-r--r-- root/root 6257 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.1 -rw-r--r-- root/root 6273 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.4 -rw-r--r-- root/root 6263 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.1 -rw-r--r-- root/root 6280 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.4 -rw-r--r-- root/root 6635 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.1 -rw-r--r-- root/root 6650 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.4 -rw-r--r-- root/root 6651 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.1 -rw-r--r-- root/root 6668 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.4 -rw-r--r-- root/root 1085 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/settings.mod -rw-r--r-- root/root 335 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/test.sh drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/ -rw-r--r-- root/root 409 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/Si.Si.elstop lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/Si.sw -> ../../../potentials/Si.sw -rw-r--r-- root/root 1045 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.cascade_AlCu -rw-r--r-- root/root 987 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.cascade_SiSi -rw-r--r-- root/root 769 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.elstop -rw-r--r-- root/root 877 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.elstop.only -rw-r--r-- root/root 5221 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_AlCu.intel.1 -rw-r--r-- root/root 5222 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_AlCu.intel.4 -rw-r--r-- root/root 5177 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_SiSi.intel.1 -rw-r--r-- root/root 5180 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_SiSi.intel.4 -rw-r--r-- root/root 28009 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.g++.1 -rw-r--r-- root/root 27994 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.g++.4 -rw-r--r-- root/root 9319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.only.g++.1 -rw-r--r-- root/root 9320 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.only.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/ -rw-r--r-- root/root 756307 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/Na_MendelevM_2014.eam.fs -rw-r--r-- root/root 746884 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/data.interface -rw-r--r-- root/root 821 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/in.entropy -rw-r--r-- root/root 4475 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/log.entropy drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/extep/ -rw-r--r-- root/root 4567 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/BN.data lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/extep/BN.extep -> ../../../potentials/BN.extep -rw-r--r-- root/root 647 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/in.extep-bn -rw-r--r-- root/root 18767 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.1 -rw-r--r-- root/root 18764 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/ -rw-r--r-- root/root 107062 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/data.init_conf_with_heptane -rw-r--r-- root/root 2056 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/in.insertion -rw-r--r-- root/root 130983 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/log.insertion drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/ -rw-r--r-- root/root 107062 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/data.init_conf_with_heptane -rw-r--r-- root/root 2055 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/in.deletion -rw-r--r-- root/root 130982 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/log.deletion drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/ -rw-r--r-- root/root 3411 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/README.md drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/data.0.lmp -> ../mols/data.0.lmp -rw-r--r-- root/root 734 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/fep01.fep -rw-r--r-- root/root 5414 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/in.fep01.lmp -rw-r--r-- root/root 261863 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/log.fep01 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/data.1.lmp -> ../mols/data.1.lmp -rw-r--r-- root/root 720 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/fep10.fep -rw-r--r-- root/root 5413 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/in.fep10.lmp -rw-r--r-- root/root 261863 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/log.fep10 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/ -rw-r--r-- root/root 1922 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CC-CO.ff -rw-r--r-- root/root 338 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CC-CO.zmat -rw-r--r-- root/root 338 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CO-CC.zmat -rw-r--r-- root/root 475 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/README -rw-r--r-- root/root 140862 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/data.0.lmp -rw-r--r-- root/root 140862 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/data.1.lmp -rw-r--r-- root/root 329 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/spce.ff -rw-r--r-- root/root 56 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/spce.zmat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/ -rw-r--r-- root/root 3446 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/README.md drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/ -rw-r--r-- root/root 131382 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/bar01.fep lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/data.0.lmp -> ../mols/data.0.lmp -rw-r--r-- root/root 2424 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp -rw-r--r-- root/root 117612 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/log.bar01 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/ -rw-r--r-- root/root 122443 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/bar10.fep lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/data.1.lmp -> ../mols/data.1.lmp -rw-r--r-- root/root 2424 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp -rw-r--r-- root/root 117612 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/log.ber10 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/data.0.lmp -> ../mols/data.0.lmp -rw-r--r-- root/root 725 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/fep01.fep -rw-r--r-- root/root 2924 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp -rw-r--r-- root/root 394346 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/log.fep01 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/data.1.lmp -> ../mols/data.1.lmp -rw-r--r-- root/root 750 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/fep10.fep -rw-r--r-- root/root 2924 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp -rw-r--r-- root/root 394346 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/log.fep01 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/ -rw-r--r-- root/root 313 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/CF4-CH4.zmat -rw-r--r-- root/root 911 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/CH4-CF4.ff -rw-r--r-- root/root 313 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/CH4-CF4.zmat -rw-r--r-- root/root 139808 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/data.0.lmp -rw-r--r-- root/root 139808 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/data.1.lmp -rw-r--r-- root/root 329 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/spce.ff -rw-r--r-- root/root 56 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/spce.zmat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/ -rw-r--r-- root/root 2292 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/README.md drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 789 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/fdti01.fep -rw-r--r-- root/root 2703 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp -rw-r--r-- root/root 85899 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/log.fdti01 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 792 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/fdti10.fep -rw-r--r-- root/root 2891 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp -rw-r--r-- root/root 86378 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/log.fdti10 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 731 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/fep01.fep -rw-r--r-- root/root 2284 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp -rw-r--r-- root/root 79342 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/log.fep01 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 733 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/fep10.fep -rw-r--r-- root/root 2260 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp -rw-r--r-- root/root 79267 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/log.fep10 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/ -rw-r--r-- root/root 142454 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/data.lmp -rw-r--r-- root/root 141 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/methane.zmat -rw-r--r-- root/root 3619 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/oplsaa.ff -rw-r--r-- root/root 344 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/tip4pew.ff -rw-r--r-- root/root 64 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/tip4pew.zmat -rw-r--r-- root/root 1128 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/README.md drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/ -rw-r--r-- root/root 1789 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/README.md drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 727 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/fep01-lj.fep -rw-r--r-- root/root 65671 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/fep01-lj.out -rw-r--r-- root/root 733 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/fep01-q.fep -rw-r--r-- root/root 75098 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/fep01-q.out -rw-r--r-- root/root 1911 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/in-fep01-lj.lmp -rw-r--r-- root/root 1874 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/in-fep01-q.lmp drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 741 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-lj.fep 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23:51 ./usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.1 -rw-r--r-- root/root 5387 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/ -rw-r--r-- root/root 1943 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/README -rw-r--r-- root/root 8435 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/in.GD -rw-r--r-- root/root 44993 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.1 -rw-r--r-- root/root 44999 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/ -rw-r--r-- root/root 1110 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/GD.out -rw-r--r-- root/root 3160 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/Vy_profile -rw-r--r-- root/root 1978 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/x_profiles drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/ -rw-r--r-- root/root 515772 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/data.gauss-diel -rw-r--r-- root/root 3943 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/in.gauss-diel -rw-r--r-- root/root 3962 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/in.gauss-diel-cg -rw-r--r-- root/root 4171 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/in.gauss-diel-split -rw-r--r-- root/root 3388 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/log.gauss-diel -rw-r--r-- root/root 3494 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/log.gauss-diel-cg -rw-r--r-- root/root 3493 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gauss_diel/log.gauss-diel-split drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/ -rw-r--r-- root/root 12575 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/data.h2o-quantum -rw-r--r-- root/root 12574 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/data.h2o-smart -rw-r--r-- root/root 1020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/in.h2o-quantum -rw-r--r-- root/root 1044 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/in.h2o-smart -rw-r--r-- root/root 9358 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/log.h2o-quantum -rw-r--r-- root/root 9327 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/log.h2o-smart -rw-r--r-- root/root 1127 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/qt-300k.A -rw-r--r-- root/root 1127 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/qt-300k.C -rw-r--r-- root/root 1125 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/smart.A drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/ -rw-r--r-- root/root 3753 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/400/ -rw-r--r-- root/root 90493 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/400/restart.init drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/405/ -rw-r--r-- root/root 90461 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/405/restart.init drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/410/ -rw-r--r-- root/root 90489 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/410/restart.init drwxr-xr-x root/root 0 2024-02-13 23:51 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root/root 12 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-6rep/walker.bkp drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/ -rw-r--r-- root/root 495 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/in.gREM-npt -rw-r--r-- root/root 429 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/in.gREM-nvt -rw-r--r-- root/root 90498 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/lj.data -rw-r--r-- root/root 10187 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.1 -rw-r--r-- root/root 10186 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.4 -rw-r--r-- root/root 9924 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.1 -rw-r--r-- root/root 9924 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/0/ -rw-r--r-- root/root 90515 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/0/lj.data -rw-r--r-- root/root 91040 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/0/log.lammps.0 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/ -rw-r--r-- root/root 90518 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/lj.data -rw-r--r-- root/root 91039 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/log.lammps.1 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/2/ -rw-r--r-- root/root 90516 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/2/lj.data -rw-r--r-- root/root 91038 2024-02-13 23:51 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root/root 84314 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.001.data -rw-r--r-- root/root 88889 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.008.data -rw-r--r-- root/root 1790 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/in.hdnnp -rw-r--r-- root/root 2004 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/in.hybrid -rw-r--r-- root/root 36250 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.1 -rw-r--r-- root/root 36250 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.4 -rw-r--r-- root/root 37018 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.1 -rw-r--r-- root/root 37023 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/ -rw-r--r-- root/root 732 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/README -rw-r--r-- root/root 848 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/hma.in -rw-r--r-- root/root 1490199 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/log.6Nov18.hma.g++.1 -rw-r--r-- root/root 1490197 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/log.6Nov18.hma.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/ -rw-r--r-- root/root 2377 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/README -rw-r--r-- root/root 364587 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/bucky-plus-cnt-mol.psf -rw-r--r-- root/root 1435 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/bucky_cnt_imd.vmd -rw-r--r-- root/root 248541 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/data.bucky-plus-cnt -rw-r--r-- root/root 1126965 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/data.deca-ala-solv -rw-r--r-- root/root 709164 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala-solv.psf -rw-r--r-- root/root 721 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala-solv_imd-demo.vmd -rw-r--r-- root/root 23518 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala.psf -rw-r--r-- root/root 353 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala_imd-demo.vmd -rw-r--r-- root/root 215 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/falcon.tcl -rw-r--r-- root/root 1447 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.bucky-plus-cnt -rw-r--r-- root/root 1520 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.bucky-plus-cnt-gpu -rw-r--r-- root/root 687 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala-solv-filter_imd -rw-r--r-- root/root 673 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala-solv_imd -rw-r--r-- root/root 677 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala_imd -rw-r--r-- root/root 755 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala_imd-gpu -rw-r--r-- root/root 462 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.melt_imd -rw-r--r-- root/root 520 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.melt_imd-gpu -rw-r--r-- root/root 316818 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/melt.psf -rw-r--r-- root/root 437 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/melt_imd-demo.vmd drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/CBNOH.aip.water.2dm -> ../../../../potentials/CBNOH.aip.water.2dm -rw-r--r-- root/root 64909 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/gra_water.data -rw-r--r-- root/root 1914 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water -rw-r--r-- root/root 1922 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt -rw-r--r-- root/root 9923 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.g++.1 -rw-r--r-- root/root 9927 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.g++.4 -rw-r--r-- root/root 10611 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.opt.g++.1 -rw-r--r-- root/root 10610 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.opt.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/C.drip -> ../../../../potentials/C.drip lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/CH.rebo -> ../../../../potentials/CH.rebo -rw-r--r-- root/root 171 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/README.txt -rw-r--r-- root/root 31457 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/data.C -rw-r--r-- root/root 42773 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/data.CH -rw-r--r-- root/root 769 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/in.CH_drip -rw-r--r-- root/root 683 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/in.C_drip -rw-r--r-- root/root 4256 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.1 -rw-r--r-- root/root 4259 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.4 -rw-r--r-- root/root 4168 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.1 -rw-r--r-- root/root 4257 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNC.tersoff -> ../../../../potentials/BNC.tersoff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNCH-old.ILP -> ../../../../potentials/BNCH-old.ILP lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNCH.ILP -> ../../../../potentials/BNCH.ILP -rw-r--r-- root/root 152539 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/Bi_gr_AB_stack_2L_noH.data lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/CH.rebo -> ../../../../potentials/CH.rebo -rw-r--r-- root/root 161499 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/gr_hBN_Cstack_2L_noH.data -rw-r--r-- root/root 138934 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AA_prime_stack_2L_noH.data -rw-r--r-- root/root 246016 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data -rw-r--r-- root/root 1648 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene -rw-r--r-- root/root 2135 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN -rw-r--r-- root/root 2092 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN -rw-r--r-- root/root 2162 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn -rw-r--r-- root/root 5290 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.1 -rw-r--r-- root/root 5279 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.4 -rw-r--r-- root/root 6408 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.1 -rw-r--r-- root/root 6391 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.4 -rw-r--r-- root/root 6861 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.1 -rw-r--r-- root/root 6852 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.4 -rw-r--r-- root/root 6472 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.1 -rw-r--r-- root/root 6464 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/TMD.ILP -> ../../../../potentials/TMD.ILP -rw-r--r-- root/root 137077 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/bilayer_MoS2_AAprime_stacking.data -rw-r--r-- root/root 1054 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/in.mos2 -rw-r--r-- root/root 6458 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/log.7Jan22.mos2.g++.1 -rw-r--r-- root/root 6457 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/log.7Jan22.mos2.g++.4 -rw-r--r-- root/root 11117 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/tmd.sw.mod drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/ -rw-r--r-- root/root 152539 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH.data -rw-r--r-- root/root 245256 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH_300K.data lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH.rebo -> ../../../../potentials/CH.rebo lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH_taper.KC -> ../../../../potentials/CH_taper.KC -rw-r--r-- root/root 1741 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene -rw-r--r-- root/root 6718 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1 -rw-r--r-- root/root 6715 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4 -rw-r--r-- root/root 6473 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.1 -rw-r--r-- root/root 6454 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/CC.KC -> ../../../../potentials/CC.KC lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/CH.rebo -> ../../../../potentials/CH.rebo -rw-r--r-- root/root 11695 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.bilayer-graphene -rw-r--r-- root/root 5980 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.graphene-adsorbant -rw-r--r-- root/root 1533 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion -rw-r--r-- root/root 1555 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene -rw-r--r-- root/root 13615 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.1 -rw-r--r-- root/root 13619 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.4 -rw-r--r-- root/root 14035 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1 -rw-r--r-- root/root 14027 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/ -rw-r--r-- root/root 177 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/2particles.dat -rw-r--r-- root/root 1414 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/2particles.in -rw-r--r-- root/root 872 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/CC.Lebedeva -rw-r--r-- root/root 35801 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/LammpsResult.dat -rw-r--r-- root/root 2327 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/LebDer.pl -rw-r--r-- root/root 641 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/lebedeva00.plot drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/ -rw-r--r-- root/root 6334 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/3Lgold_1Lgr_atop_sliding.data lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/Au_u3.eam -> ../../../../potentials/Au_u3.eam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/CH.rebo -> ../../../../potentials/CH.rebo lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/CHAu.ILP -> ../../../../potentials/CHAu.ILP -rw-r--r-- root/root 1209 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/in.gold_gr -rw-r--r-- root/root 6161 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/log.7Jan22.gold_gr.g++.1 -rw-r--r-- root/root 6159 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/log.7Jan22.gold_gr.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/ -rw-r--r-- root/root 4203 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/C.opt.tersoff -rw-r--r-- root/root 1522 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/README -rw-r--r-- root/root 149849 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/data.graphene -rw-r--r-- root/root 1860 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/i-pi_input.xml -rw-r--r-- root/root 46232 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/i-pi_positions.xyz -rw-r--r-- root/root 959 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/in.graphene drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/ -rw-r--r-- root/root 5731 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/in.confined_colloids -rw-r--r-- root/root 8826 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/log.09Mar22.confined_colloids.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/ -rw-r--r-- root/root 7736 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/in.trapnewsphere -rw-r--r-- root/root 17319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/log.09Mar22.trapnewsphere.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/ -rw-r--r-- root/root 6683 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/in.dragtest -rw-r--r-- root/root 10549 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/log.09Mar22.dragtest.g++.1 -rw-r--r-- root/root 10551 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/log.09Mar22.dragtest.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/ -rw-r--r-- root/root 32488 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/data.two -rw-r--r-- root/root 5759 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/in.microrheology -rw-r--r-- root/root 10680 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/log.09Mar22.microrheology.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/ -rw-r--r-- root/root 21319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/data.one_radius16d2 -rw-r--r-- root/root 5528 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/in.pits -rw-r--r-- root/root 8967 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/log.09Mar22.pits.g++.1 -rw-r--r-- root/root 8966 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/log.09Mar22.pits.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/ -rw-r--r-- root/root 21319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/data.one_radius16d2 -rw-r--r-- root/root 5040 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/in.planewall -rw-r--r-- root/root 20962 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/log.09Mar22.planewall.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/ -rw-r--r-- root/root 32594 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/data.polymer -rw-r--r-- root/root 5734 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/in.polymer -rw-r--r-- root/root 9171 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/log.09Mar22.polymer.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/toycar/ -rw-r--r-- root/root 18271 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/toycar/in.toycar -rw-r--r-- root/root 50758 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/toycar/log.09Mar22.toycar.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/ -rw-r--r-- root/root 37735 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/data.translocation -rw-r--r-- root/root 9324 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/in.translocation -rw-r--r-- root/root 65632 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/log.09Mar22.translocation.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/ -rw-r--r-- root/root 86020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.data -rw-r--r-- root/root 30396 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.localdensity.table -rw-r--r-- root/root 86190 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.pair.table -rw-r--r-- root/root 1911 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/in.benzene_water -rw-r--r-- root/root 16370 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.1 -rw-r--r-- root/root 16263 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/ -rw-r--r-- root/root 1879 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water -rw-r--r-- root/root 10562 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.1 -rw-r--r-- root/root 10563 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.4 -rw-r--r-- root/root 155402 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.data -rw-r--r-- root/root 7627 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.localdensity.table -rw-r--r-- root/root 42100 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.pair.table drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/ -rw-r--r-- root/root 394 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/ -rw-r--r-- root/root 7000 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull -rw-r--r-- root/root 17428 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/log.9Oct20.aluminum_strip_pull.g++.1 -rw-r--r-- root/root 17429 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/log.9Oct20.aluminum_strip_pull.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/ -rw-r--r-- root/root 7992 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction -rw-r--r-- root/root 23243 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/log.9Oct20.fluid_structure_interaction.g++.1 -rw-r--r-- root/root 23243 2024-02-13 23:51 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./usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/log.9Oct20.rubber_rings_3d.g++.1 -rw-r--r-- root/root 15933 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/log.9Oct20.rubber_rings_3d.g++.4 -rw-r--r-- root/root 59482 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/washer_hex_adjusted.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/ -rw-r--r-- root/root 5583 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull -rw-r--r-- root/root 10488 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/log.9Oct20.rubber_strip_pull.g++.1 -rw-r--r-- root/root 10489 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/log.9Oct20.rubber_strip_pull.g++.4 -rw-r--r-- root/root 312 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/plot.gpl drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/ -rw-r--r-- root/root 218 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/README -rw-r--r-- root/root 316722 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.cyl.data -rw-r--r-- root/root 681 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.cyl.in -rw-r--r-- root/root 145018 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.pdf -rw-r--r-- root/root 72908 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.plane.data -rw-r--r-- root/root 589 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.plane.in -rw-r--r-- root/root 66059 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.sphere.data -rw-r--r-- root/root 614 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.sphere.in -rw-r--r-- root/root 66627 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd_plot2.pdf -rw-r--r-- root/root 1985 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/plot_msd.gpl drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/ -rw-r--r-- root/root 229 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/README -rw-r--r-- root/root 78712 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/cylinder.data -rw-r--r-- root/root 77 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/cylinder.setup -rw-r--r-- root/root 594 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy.in -rw-r--r-- root/root 481 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy.plane.in -rw-r--r-- root/root 1116 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy.sh -rw-r--r-- root/root 1023627 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy_conservation.pdf -rw-r--r-- root/root 85635 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy_conservation.png -rw-r--r-- root/root 78165 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/plane.anneal.data -rw-r--r-- root/root 78139 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/plane.data -rw-r--r-- root/root 2766 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/plot_energies.gpl -rw-r--r-- root/root 78571 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/sphere.data -rw-r--r-- root/root 76 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/sphere.setup -rw-r--r-- root/root 78545 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/torus.data -rw-r--r-- root/root 79 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/torus.setup drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/ -rw-r--r-- root/root 237 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/README -rw-r--r-- root/root 633205 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/thylakoid.data -rw-r--r-- root/root 712 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/thylakoid.in drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/ -rw-r--r-- root/root 110 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/README -rw-r--r-- root/root 15831 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/init.data -rw-r--r-- root/root 1478 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/vir.in drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/ -rw-r--r-- root/root 160583 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/1-1-1.table -rw-r--r-- root/root 287932 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/1-1-2.table -rw-r--r-- root/root 2988 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/README -rw-r--r-- root/root 23766 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/data.spce -rw-r--r-- root/root 23776 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/data.spce2 -rw-r--r-- root/root 535 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/in.spce -rw-r--r-- root/root 547 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/in.spce2 -rw-r--r-- root/root 476 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/in.spce_sw -rw-r--r-- root/root 3662 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce.g++.1 -rw-r--r-- root/root 3660 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce.g++.4 -rw-r--r-- root/root 3674 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce2.g++.1 -rw-r--r-- root/root 3672 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce2.g++.4 -rw-r--r-- root/root 3602 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce_sw.g++.1 -rw-r--r-- root/root 3600 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce_sw.g++.4 -rw-r--r-- root/root 61 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/spce.3b -rw-r--r-- root/root 320 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/spce.sw -rw-r--r-- root/root 519 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/spce2.3b -rw-r--r-- root/root 67688 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/table_CG_CG.txt -rw-r--r-- root/root 48957 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/table_CG_CG_CG.txt drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/Si_1.meam.spline -> ../../../potentials/Si_1.meam.spline lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/TiO.meam.spline -> ../../../potentials/TiO.meam.spline -rw-r--r-- root/root 425 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.Si -rw-r--r-- root/root 2414 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.TiO2 -rw-r--r-- root/root 3813 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.1 -rw-r--r-- root/root 3815 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.4 -rw-r--r-- root/root 14226 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.1 -rw-r--r-- root/root 14231 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/Si.b.meam.sw.spline -> ../../../../potentials/Si.b.meam.sw.spline -rw-r--r-- root/root 996 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc -rw-r--r-- root/root 1104 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc_relax -rw-r--r-- root/root 1004 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc -rw-r--r-- root/root 1108 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc_relax -rw-r--r-- root/root 873 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw -rw-r--r-- root/root 1002 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.fcc -rw-r--r-- root/root 1118 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.fcc_relax -rw-r--r-- root/root 1511 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.hcp_relax -rw-r--r-- root/root 998 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.sc -rw-r--r-- root/root 1103 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.sc_relax -rw-r--r-- root/root 769 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.single_atom -rw-r--r-- root/root 3847 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc.g++.1 -rw-r--r-- root/root 3942 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc.g++.4 -rw-r--r-- root/root 347195 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc_relax.g++.1 -rw-r--r-- root/root 889817 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc_relax.g++.4 -rw-r--r-- root/root 3855 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc.g++.1 -rw-r--r-- root/root 3856 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc.g++.4 -rw-r--r-- root/root 1025753 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc_relax.g++.1 -rw-r--r-- root/root 1025757 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc_relax.g++.4 -rw-r--r-- root/root 23849 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.1 -rw-r--r-- root/root 23849 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.4 -rw-r--r-- root/root 3856 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc.g++.1 -rw-r--r-- root/root 3857 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc.g++.4 -rw-r--r-- root/root 48656 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc_relax.g++.1 -rw-r--r-- root/root 1025810 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc_relax.g++.4 -rw-r--r-- root/root 1026279 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.hcp_relax.g++.1 -rw-r--r-- root/root 145315 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.hcp_relax.g++.4 -rw-r--r-- root/root 3848 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.1 -rw-r--r-- root/root 3941 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.4 -rw-r--r-- root/root 440191 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc_relax.g++.1 -rw-r--r-- root/root 440380 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc_relax.g++.4 -rw-r--r-- root/root 3429 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.single_atom.g++.1 -rw-r--r-- root/root 3429 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.single_atom.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/Ti.meam.sw.spline -> ../../../../potentials/Ti.meam.sw.spline -rw-r--r-- root/root 857 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha -rw-r--r-- root/root 1434 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation -rw-r--r-- root/root 742 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.beta -rw-r--r-- root/root 2055 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw -rw-r--r-- root/root 736 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.fcc -rw-r--r-- root/root 821 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.hexagonal -rw-r--r-- root/root 866 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.omega -rw-r--r-- root/root 766 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.single_atom -rw-r--r-- root/root 3609 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.1 -rw-r--r-- root/root 3610 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.4 -rw-r--r-- root/root 355306 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.1 -rw-r--r-- root/root 112551 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.4 -rw-r--r-- root/root 3484 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.1 -rw-r--r-- root/root 3578 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.4 -rw-r--r-- root/root 32109 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.1 -rw-r--r-- root/root 32097 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.4 -rw-r--r-- root/root 3485 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.1 -rw-r--r-- root/root 3487 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.4 -rw-r--r-- root/root 3577 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.1 -rw-r--r-- root/root 3671 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.4 -rw-r--r-- root/root 3625 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.1 -rw-r--r-- root/root 3621 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.4 -rw-r--r-- root/root 3424 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.1 -rw-r--r-- root/root 3422 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/mesont/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/mesont/C_10_10.mesocnt -> ../../../potentials/C_10_10.mesocnt -rw-r--r-- root/root 305 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/README -rw-r--r-- root/root 6753557 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/data.film_mesocnt -rw-r--r-- root/root 1145 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/in.film_mesocnt -rw-r--r-- root/root 5080 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/log.31Aug2022.film_mesocnt.g++.1 -rw-r--r-- root/root 5081 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/log.31Aug2022.film_mesocnt.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/ -rw-r--r-- root/root 3005 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.README -rw-r--r-- root/root 72 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.parmin -rw-r--r-- root/root 575018 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.potin -rw-r--r-- root/root 1904 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/in.bcc0 -rw-r--r-- root/root 2268 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/in.vac0-bcc -rw-r--r-- root/root 2165 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/in.vacmin-bcc -rw-r--r-- root/root 4889 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.1 -rw-r--r-- root/root 4891 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.4 -rw-r--r-- root/root 5346 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vac0-bcc.g++.1 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./usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1_long.g++.1 -rw-r--r-- root/root 12802 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1_long.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momb/ -rw-r--r-- root/root 4680706 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momb/Ag_O1X5.5_O2X0.55.eam.fs -rw-r--r-- root/root 993 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momb/README -rw-r--r-- root/root 14285 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momb/in.system -rw-r--r-- root/root 21117 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momb/log.17Mar2017.system.g++.1 -rw-r--r-- root/root 21112 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momb/log.17Mar2017.system.g++.4 -rw-r--r-- root/root 3866747 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momb/system.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momentum/ -rw-r--r-- root/root 1491 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momentum/in.momentum drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/ -rw-r--r-- root/root 190771 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/data.mop -rw-r--r-- root/root 1060 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/in.compute_stress_mop -rw-r--r-- root/root 3768 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.1 -rw-r--r-- root/root 3767 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.4 -rw-r--r-- root/root 8209 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/moppz.time.reference -rw-r--r-- root/root 168 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/mopz0.time.reference drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/Ni_u3.eam -> ../../../potentials/Ni_u3.eam -rw-r--r-- root/root 2127895 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/data.sigma5 -rw-r--r-- root/root 507 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/in.orient_eco -rw-r--r-- root/root 3647 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/log.2Jun2020.orent_eco.g++.1 -rw-r--r-- root/root 3611 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/log.2Jun2020.orent_eco.g++.4 -rw-r--r-- root/root 161 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/sigma5.ori drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/pace/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/pace/Cu-PBE-core-rep.ace -> ../../../potentials/Cu-PBE-core-rep.ace -rw-r--r-- root/root 413 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/README.md drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/compute/ -rw-r--r-- root/root 104073 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/compute/coupling_coefficients.yace -rw-r--r-- root/root 375 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/compute/in.compute -rw-r--r-- root/root 13548 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/compute/latte_cell_0.data -rw-r--r-- root/root 8790 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/compute/latte_cell_0.xyz -rw-r--r-- root/root 2691 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/compute/log.5Dec23.compute.g++.1 -rw-r--r-- root/root 2689 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/compute/log.5Dec23.compute.g++.4 -rw-r--r-- root/root 910 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/in.pace.product -rw-r--r-- root/root 914 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/in.pace.recursive -rw-r--r-- root/root 4116 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.product.g++.1 -rw-r--r-- root/root 4122 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.product.g++.4 -rw-r--r-- root/root 4126 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.recursive.g++.1 -rw-r--r-- root/root 4128 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.recursive.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/ -rw-r--r-- root/root 2519 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/CMakeLists.txt lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/LAMMPSInterfacePlugin.cmake -> ../../../../cmake/Modules/LAMMPSInterfacePlugin.cmake lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/ML-PACE.cmake -> ../../../../cmake/Modules/Packages/ML-PACE.cmake -rw-r--r-- root/root 168 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/README.txt -rw-r--r-- root/root 25818 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/lammps-text-logo-wide.bmp -rw-r--r-- root/root 209266 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/lammps.ico -rw-r--r-- root/root 703 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/paceplugin.cpp -rw-r--r-- root/root 4724 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/plugin/paceplugin.nsis drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pafi/ -rw-r--r-- root/root 1355 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pafi/README -rw-r--r-- root/root 2090 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pafi/in.pafi -rw-r--r-- root/root 16525 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pafi/log.15Apr20.pafi.g++.1 -rw-r--r-- root/root 16528 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pafi/log.15Apr20.pafi.g++.4 -rw-r--r-- root/root 88222 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pafi/pafipath.4.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/ -rw-r--r-- root/root 1754 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/README -rw-r--r-- root/root 1387 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/data.pos -rw-r--r-- root/root 485 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/disp.dat -rw-r--r-- root/root 1020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/in.Ana -rw-r--r-- root/root 43 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/in.disp -rw-r--r-- root/root 982458 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/log.lammps -rw-r--r-- root/root 212 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/map.in -rw-r--r-- root/root 21011 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/pdisp.eps -rw-r--r-- root/root 262 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/pdisp.gnuplot -rw-r--r-- root/root 384 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/phonon.bin.2000000 -rw-r--r-- root/root 3153 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/phonon.log -rw-r--r-- root/root 456 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/plot.disp drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/2-1D-diatomic/ -rw-r--r-- root/root 1597 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/2-1D-diatomic/README -rw-r--r-- root/root 4507 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/2-1D-diatomic/data.pos -rw-r--r-- root/root 1253 2024-02-13 23:51 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1965 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_training_errors.pod -rw-r--r-- root/root 85 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/in.fitpod -rw-r--r-- root/root 783 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/in.pod -rw-r--r-- root/root 5750 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.fitpod.g++.1 -rw-r--r-- root/root 5750 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.fitpod.g++.4 -rw-r--r-- root/root 5058 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.pod.g++.1 -rw-r--r-- root/root 5062 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.pod.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ptm/ -rw-r--r-- root/root 1566 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ptm/ptm_example.in drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/ -rw-r--r-- root/root 372 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/ -rw-r--r-- root/root 1092 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_potential.mod -rw-r--r-- root/root 3277 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_qtb.mod -rw-r--r-- root/root 4726 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst -rw-r--r-- root/root 29535 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.1 -rw-r--r-- root/root 29537 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.4 -rw-r--r-- root/root 1944659 2024-02-13 23:51 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root/root 2600 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/data_gap -rw-r--r-- root/root 579 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/data_sw -rw-r--r-- root/root 55736 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/gap_example.xml -rw-r--r-- root/root 695652 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/gap_example_sparse.dat -rw-r--r-- root/root 344 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/in.gap -rw-r--r-- root/root 1508 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/in.molecular -rw-r--r-- root/root 337 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/in.sw -rw-r--r-- root/root 2515 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.gap.g++.1 -rw-r--r-- root/root 2511 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.gap.g++.4 -rw-r--r-- root/root 5236 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.molecular.g++.1 -rw-r--r-- root/root 5230 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.molecular.g++.4 -rw-r--r-- root/root 2950 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.sw.g++.1 -rw-r--r-- root/root 2947 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.sw.g++.4 -rw-r--r-- root/root 3452 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/methane-box-8.data -rw-r--r-- root/root 4119 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/out.molecular -rw-r--r-- root/root 2555 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/sw_example.xml drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rann/ -rw-r--r-- root/root 1124 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rann/in.rann -rw-r--r-- root/root 8652 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rann/log.22Jun21.rann.g++.1 -rw-r--r-- root/root 8651 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rann/log.22Jun21.rann.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/ -rw-r--r-- root/root 344 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene.map -rw-r--r-- root/root 15741 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_post.molecule_template -rw-r--r-- root/root 9966 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_pre.molecule_template -rw-r--r-- root/root 1020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene -rw-r--r-- root/root 11312 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.1 -rw-r--r-- root/root 11317 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.4 -rw-r--r-- root/root 22564 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/trimer.data drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/ -rw-r--r-- root/root 1384 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt -rw-r--r-- root/root 3777701 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/large_nylon_melt.data.gz -rw-r--r-- root/root 7109 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.1 -rw-r--r-- root/root 7108 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.4 -rw-r--r-- root/root 202 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_map -rw-r--r-- root/root 5455 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_reacted.molecule_template -rw-r--r-- root/root 4580 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_unreacted.molecule_template -rw-r--r-- root/root 183 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_map -rw-r--r-- root/root 3637 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_reacted.molecule_template -rw-r--r-- root/root 4426 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_unreacted.molecule_template drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/ -rw-r--r-- root/root 1187 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized -rw-r--r-- root/root 9809 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.1 -rw-r--r-- root/root 9808 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.4 -rw-r--r-- root/root 271 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1.map -rw-r--r-- root/root 9730 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_post.molecule_template -rw-r--r-- root/root 9379 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_pre.molecule_template -rw-r--r-- root/root 271 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2.map -rw-r--r-- root/root 9571 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2_post.molecule_template -rw-r--r-- root/root 349 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1.map -rw-r--r-- root/root 13427 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_post.molecule_template -rw-r--r-- root/root 12926 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_pre.molecule_template -rw-r--r-- root/root 349 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2.map -rw-r--r-- root/root 13160 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2_post.molecule_template -rw-r--r-- root/root 47356 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/tiny_epoxy.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/ -rw-r--r-- root/root 1374 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized -rw-r--r-- root/root 1548 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability -rw-r--r-- root/root 1147 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized -rw-r--r-- root/root 24139 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized.g++.1 -rw-r--r-- root/root 24140 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized.g++.4 -rw-r--r-- root/root 9322 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized_variable_probability.g++.1 -rw-r--r-- root/root 9321 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized_variable_probability.g++.4 -rw-r--r-- root/root 8211 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.unstabilized.g++.1 -rw-r--r-- root/root 8211 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.unstabilized.g++.4 -rw-r--r-- root/root 202 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp1_map -rw-r--r-- root/root 5455 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp1_reacted.molecule_template -rw-r--r-- root/root 4580 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp1_unreacted.molecule_template -rw-r--r-- root/root 183 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp2_map -rw-r--r-- root/root 3637 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp2_reacted.molecule_template -rw-r--r-- root/root 4426 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp2_unreacted.molecule_template -rw-r--r-- root/root 23341 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/tiny_nylon.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/ -rw-r--r-- root/root 255 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_map -rw-r--r-- root/root 10637 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_reacted.molecule_template -rw-r--r-- root/root 9831 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_unreacted.molecule_template -rw-r--r-- root/root 380 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_map -rw-r--r-- root/root 17105 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_reacted.molecule_template -rw-r--r-- root/root 16153 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_unreacted.molecule_template -rw-r--r-- root/root 353 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_map -rw-r--r-- root/root 15660 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_reacted.molecule_template -rw-r--r-- root/root 14781 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_unreacted.molecule_template -rw-r--r-- root/root 1398 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized -rw-r--r-- root/root 17568 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov19.tiny_polystyrene.stabilized.g++.4 -rw-r--r-- root/root 17570 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov2020.tiny_polystyrene.stabilized.g++.1 -rw-r--r-- root/root 114784 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/tiny_polystyrene.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/ -rw-r--r-- root/root 2935 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/README.md -rw-r--r-- root/root 854 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/in.crystal -rw-r--r-- root/root 806 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/in.pinning -rw-r--r-- root/root 919 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/in.setup -rw-r--r-- root/root 8996 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.1 -rw-r--r-- root/root 8996 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.4 -rw-r--r-- root/root 14223 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.1 -rw-r--r-- root/root 14224 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.4 -rw-r--r-- root/root 5955 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.setup.g++.1 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root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ -rw-r--r-- root/root 1439 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/AgCuPancake.data -rw-r--r-- root/root 117154 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/data.Alpha -rw-r--r-- root/root 1731 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ffield.smtbq.Al -rw-r--r-- root/root 2899 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ffield.smtbq.Al2O3 -rw-r--r-- root/root 2857 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ffield.smtbq.TiO2 -rw-r--r-- root/root 931 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smatbAgCuPancake -rw-r--r-- root/root 520 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smatbBulkFCC -rw-r--r-- root/root 1785 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smtbq.Al -rw-r--r-- root/root 1174 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smtbq.Al2O3 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0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/Zr_mm.eam.fs -> ../../../potentials/Zr_mm.eam.fs -rw-r--r-- root/root 69462 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/data.zr_cell drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/ -rw-r--r-- root/root 1880 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lda_scalings.dat -rw-r--r-- root/root 46 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_bias.dat -rw-r--r-- root/root 142 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_decision.dat -rw-r--r-- root/root 384 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/mahalanobis_file.dat -rw-r--r-- root/root 649 2024-02-13 23:51 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./usr/share/lammps/examples/QUANTUM/README -rw-r--r-- root/root 9728 2024-02-13 23:51 ./usr/share/lammps/examples/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/ -rw-r--r-- root/root 1045 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/ -rw-r--r-- root/root 1469 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/in.spin.bfo -rw-r--r-- root/root 4808 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.1 -rw-r--r-- root/root 4806 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/ -rw-r--r-- root/root 679618 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/Co_PurjaPun_2012.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/ -rw-r--r-- root/root 75 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fcc_cobalt.dat -rw-r--r-- root/root 886 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fit.py -rw-r--r-- root/root 1541 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc -rw-r--r-- root/root 6323 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.1 -rw-r--r-- root/root 6317 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy -> ../cobalt_fcc/Co_PurjaPun_2012.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/ -rw-r--r-- root/root 882 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_fit.py -rw-r--r-- root/root 334 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_hcp_co.dat -rw-r--r-- root/root 1596 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp -rw-r--r-- root/root 6115 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.1 -rw-r--r-- root/root 6114 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/SPIN/dipole_spin/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/SPIN/dipole_spin/Fe_Mishin2006.eam.alloy -> ../iron/Fe_Mishin2006.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/ -rw-r--r-- root/root 83 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_bcc_iron.dat -rw-r--r-- root/root 884 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_fit.py -rw-r--r-- root/root 1103 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/fe_dd.dat -rw-r--r-- root/root 1587 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut -rw-r--r-- root/root 1624 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald -rw-r--r-- root/root 1650 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm -rw-r--r-- root/root 4529 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.1 -rw-r--r-- root/root 4524 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.4 -rw-r--r-- root/root 4970 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.1 -rw-r--r-- root/root 4964 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.4 -rw-r--r-- root/root 4941 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.1 -rw-r--r-- root/root 4933 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/ -rw-r--r-- root/root 381 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/ -rw-r--r-- root/root 5275 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/final.iron_spin -rw-r--r-- root/root 1335 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/in.gneb.iron -rw-r--r-- root/root 8090 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/initial.iron_spin drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/ -rw-r--r-- root/root 13336 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/final.skyrmion -rw-r--r-- root/root 1360 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/in.gneb.skyrmion -rw-r--r-- root/root 98928 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/initial.skyrmion drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/ -rw-r--r-- root/root 353249 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/Fe_Mishin2006.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/ -rw-r--r-- root/root 83 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_bcc_iron.dat -rw-r--r-- root/root 884 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_fit.py -rw-r--r-- root/root 1103 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/fe_dd.dat -rw-r--r-- root/root 1456 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/in.spin.iron -rw-r--r-- root/root 1679 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/in.spin.iron_cubic -rw-r--r-- root/root 6522 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.1 -rw-r--r-- root/root 6527 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.4 -rw-r--r-- root/root 6704 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.1 -rw-r--r-- root/root 6706 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/nickel/ -rw-r--r-- root/root 780452 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/nickel/Ni99.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 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./usr/share/lammps/examples/balance/log.3Nov23.balance.var.dynamic.g++.2 -rw-r--r-- root/root 13519 2024-02-13 23:51 ./usr/share/lammps/examples/balance/log.3Nov23.balance.var.dynamic.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/body/ -rw-r--r-- root/root 15728 2024-02-13 23:51 ./usr/share/lammps/examples/body/data.body -rw-r--r-- root/root 592 2024-02-13 23:51 ./usr/share/lammps/examples/body/data.cubes -rw-r--r-- root/root 302 2024-02-13 23:51 ./usr/share/lammps/examples/body/data.squares -rw-r--r-- root/root 620 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.body -rw-r--r-- root/root 1192 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.cubes -rw-r--r-- root/root 1476 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.pour3d -rw-r--r-- root/root 1338 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.squares -rw-r--r-- root/root 1398 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.wall2d -rw-r--r-- root/root 11475 2024-02-13 23:51 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2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.cube -rw-r--r-- root/root 173 2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.point3d -rw-r--r-- root/root 179 2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.rod3d -rw-r--r-- root/root 286 2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.tetra drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/ -rw-r--r-- root/root 61211 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/brokenDump -rw-r--r-- root/root 1632 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/in.bpm.impact.rotational -rw-r--r-- root/root 1516 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/in.bpm.impact.spring -rw-r--r-- root/root 12409 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/log.17Feb2022.impact.spring.g++.4 -rw-r--r-- root/root 13346 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/log.4May2022.impact.rotational.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/ -rw-r--r-- root/root 1634 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/in.bpm.pour -rw-r--r-- root/root 105939 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/log.4May2022.pour.g++.4 -rw-r--r-- root/root 7458 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/rect.mol drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/ -rw-r--r-- root/root 34339 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/charmm22.cmap -rw-r--r-- root/root 24188 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/gagg.data -rw-r--r-- root/root 836 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/in.cmap -rw-r--r-- root/root 13558 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.1 -rw-r--r-- root/root 13563 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/ -rw-r--r-- root/root 1066 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/in.colloid -rw-r--r-- root/root 6865 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.1 -rw-r--r-- root/root 6869 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/comb/ -rw-r--r-- root/root 826 2024-02-13 23:51 ./usr/share/lammps/examples/comb/README -rw-r--r-- root/root 87263 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.Cu2O -rw-r--r-- root/root 309972 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.CuaS -rw-r--r-- root/root 103964 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.c-HfO2 -rw-r--r-- root/root 56197 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.comb3-OHCCu -rw-r--r-- root/root 103964 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.m-HfO2 -rw-r--r-- root/root 103964 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.t-HfO2 -rw-r--r-- root/root 5995 2024-02-13 23:51 ./usr/share/lammps/examples/comb/elastic.f90 lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/comb/ffield.comb -> ../../potentials/ffield.comb lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/comb/ffield.comb3 -> ../../potentials/ffield.comb3 -rw-r--r-- root/root 869 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Cu -rw-r--r-- root/root 2615 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Cu2O.elastic -rw-r--r-- root/root 1340 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.HfO2 -rw-r--r-- root/root 865 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Si -rw-r--r-- root/root 2268 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Si.elastic -rw-r--r-- root/root 739 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb3 -rw-r--r-- root/root 2496835 2024-02-13 23:51 ./usr/share/lammps/examples/comb/lib.comb3 -rw-r--r-- root/root 4505 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.1 -rw-r--r-- root/root 4500 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.4 -rw-r--r-- root/root 24524 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.1 -rw-r--r-- root/root 24506 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.4 -rw-r--r-- root/root 11264 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.1 -rw-r--r-- root/root 11191 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.4 -rw-r--r-- root/root 19056 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.1 -rw-r--r-- root/root 18925 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.4 -rw-r--r-- root/root 4498 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.1 -rw-r--r-- root/root 4493 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.4 -rw-r--r-- root/root 4247 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.1 -rw-r--r-- root/root 4246 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/controller/ -rw-r--r-- root/root 864 2024-02-13 23:51 ./usr/share/lammps/examples/controller/in.controller.temp -rw-r--r-- root/root 1215 2024-02-13 23:51 ./usr/share/lammps/examples/controller/in.controller.wall -rw-r--r-- root/root 8490 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.temp.g++.1 -rw-r--r-- root/root 8495 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.temp.g++.4 -rw-r--r-- root/root 5897 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.wall.g++.1 -rw-r--r-- root/root 5894 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.wall.g++.2 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/ -rw-r--r-- root/root 38803 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/data.coreshell -rw-r--r-- root/root 2027 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell -rw-r--r-- root/root 1842 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell.dsf -rw-r--r-- root/root 2352 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell.thermostats -rw-r--r-- root/root 1895 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell.wolf -rw-r--r-- root/root 10997 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.1 -rw-r--r-- root/root 11006 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.4 -rw-r--r-- root/root 12288 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.1 -rw-r--r-- root/root 12290 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.4 -rw-r--r-- root/root 16248 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1 -rw-r--r-- root/root 16253 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4 -rw-r--r-- root/root 11051 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.1 -rw-r--r-- root/root 11063 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/crack/ -rw-r--r-- root/root 1395 2024-02-13 23:51 ./usr/share/lammps/examples/crack/in.crack -rw-r--r-- root/root 5886 2024-02-13 23:51 ./usr/share/lammps/examples/crack/log.27Nov18.crack.g++.1 -rw-r--r-- root/root 5896 2024-02-13 23:51 ./usr/share/lammps/examples/crack/log.27Nov18.crack.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/ -rw-r--r-- root/root 1149 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.atom -rw-r--r-- root/root 1307 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule -rw-r--r-- root/root 1343 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nve-small -rw-r--r-- root/root 1360 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nvt-small -rw-r--r-- root/root 1339 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-small -rw-r--r-- root/root 1374 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.shake -rw-r--r-- root/root 11077 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.1 -rw-r--r-- root/root 11077 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.4 -rw-r--r-- root/root 11094 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.1 -rw-r--r-- root/root 11094 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.4 -rw-r--r-- root/root 11073 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.1 -rw-r--r-- root/root 11073 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.4 -rw-r--r-- root/root 10281 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.1 -rw-r--r-- root/root 10283 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.4 -rw-r--r-- root/root 10684 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.1 -rw-r--r-- root/root 10683 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.4 -rw-r--r-- root/root 11499 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.1 -rw-r--r-- root/root 11502 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.4 -rw-r--r-- root/root 153 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/molecule.dimer -rw-r--r-- root/root 229 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/molecule.dimer.shake drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/ -rw-r--r-- root/root 774 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/in.dipole -rw-r--r-- root/root 4264 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.1 -rw-r--r-- root/root 4262 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/ -rw-r--r-- root/root 212 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/README -rw-r--r-- root/root 40297 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/ch3oh.box.dreiding.bgf -rw-r--r-- root/root 2522 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/ch3oh.box.dreiding.cerius2.eng.dat -rw-r--r-- root/root 77365 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/data.dreiding -rw-r--r-- root/root 1930 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/in.dreiding -rw-r--r-- root/root 10236 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/log.27Nov18.dreiding.g++.1 -rw-r--r-- root/root 10238 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/log.27Nov18.dreiding.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/eim/ -rw-r--r-- root/root 119292 2024-02-13 23:51 ./usr/share/lammps/examples/eim/data.eim lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/eim/ffield.eim -> ../../potentials/ffield.eim -rw-r--r-- root/root 787 2024-02-13 23:51 ./usr/share/lammps/examples/eim/in.eim -rw-r--r-- root/root 3511 2024-02-13 23:51 ./usr/share/lammps/examples/eim/log.27Nov18.eim.g++.1 -rw-r--r-- root/root 3515 2024-02-13 23:51 ./usr/share/lammps/examples/eim/log.27Nov18.eim.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/ -rw-r--r-- root/root 1830 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/in.ellipse.gayberne -rw-r--r-- root/root 1926 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/in.ellipse.resquared -rw-r--r-- root/root 8051 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1 -rw-r--r-- root/root 8052 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4 -rw-r--r-- root/root 7958 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.resquared.g++.1 -rw-r--r-- root/root 7954 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.resquared.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/fire/ -rw-r--r-- root/root 1734 2024-02-13 23:51 ./usr/share/lammps/examples/fire/FeTiC.meam -rw-r--r-- root/root 666 2024-02-13 23:51 ./usr/share/lammps/examples/fire/FeTiClibrary.meam -rw-r--r-- root/root 1035 2024-02-13 23:51 ./usr/share/lammps/examples/fire/README -rw-r--r-- root/root 782 2024-02-13 23:51 ./usr/share/lammps/examples/fire/Si.sw -rw-r--r-- root/root 78572 2024-02-13 23:51 ./usr/share/lammps/examples/fire/data.fe -rw-r--r-- root/root 212 2024-02-13 23:51 ./usr/share/lammps/examples/fire/final.sivac -rw-r--r-- root/root 1010 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.abcfire -rw-r--r-- root/root 1040 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.abcfire_mod -rw-r--r-- root/root 980 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.cg -rw-r--r-- root/root 982 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.fire -rw-r--r-- root/root 1028 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.fire_mod -rw-r--r-- root/root 424 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.meam.abcfire 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23:51 ./usr/share/lammps/examples/mdi/in.snapshot.driver -rw-r--r-- root/root 1211 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/in.snapshot.driver.plugin -rw-r--r-- root/root 345 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/in.snapshot.engine -rw-r--r-- root/root 3670 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.alone.1 -rw-r--r-- root/root 3378 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.mpi.1 -rw-r--r-- root/root 3379 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.mpi.3 -rw-r--r-- root/root 3547 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.plugin.1 -rw-r--r-- root/root 3547 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.plugin.3 -rw-r--r-- root/root 3370 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.tcp.1 -rw-r--r-- root/root 3371 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.driver.tcp.3 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.mpi.1 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.mpi.4 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.plugin.1 -rw-r--r-- root/root 2324 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.plugin.3 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.tcp.1 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.tcp.4 -rw-r--r-- root/root 4616 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.mpi.1 -rw-r--r-- root/root 4615 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.mpi.2 -rw-r--r-- root/root 750 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.tcp.1 -rw-r--r-- root/root 750 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.tcp.2 -rw-r--r-- root/root 2153 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.mpi.1 -rw-r--r-- root/root 2153 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.mpi.2 -rw-r--r-- root/root 2153 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.tcp.1 -rw-r--r-- root/root 2153 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.mm.tcp.2 -rw-r--r-- root/root 2505 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.qm.mpi.1 -rw-r--r-- root/root 2504 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.qm.mpi.3 -rw-r--r-- root/root 2505 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.qm.tcp.1 -rw-r--r-- root/root 2504 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.qm.tcp.3 -rw-r--r-- root/root 4809 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.sequence.engine.mpi.1 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7929 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.driver.plugin.3 -rw-r--r-- root/root 7425 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.driver.tcp.1 -rw-r--r-- root/root 7430 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.driver.tcp.3 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.mpi.1 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.mpi.4 -rw-r--r-- root/root 1383 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.plugin.1 -rw-r--r-- root/root 1383 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.plugin.3 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.tcp.1 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.tcp.4 -rw-r--r-- root/root 2947 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.alone.1 -rw-r--r-- root/root 4460 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.mpi.1 -rw-r--r-- root/root 4458 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.mpi.3 -rw-r--r-- root/root 4943 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.plugin.1 -rw-r--r-- root/root 4949 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.plugin.3 -rw-r--r-- root/root 4456 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.tcp.1 -rw-r--r-- root/root 4452 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.driver.tcp.3 -rw-r--r-- root/root 1644 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.engine.mpi.1 -rw-r--r-- root/root 1644 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.snapshot.engine.mpi.3 -rw-r--r-- root/root 1644 2024-02-13 23:51 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./usr/share/lammps/examples/meam/in.meam.shear lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/meam/library.meam -> ../../potentials/library.meam -rw-r--r-- root/root 3441 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.g++.1 -rw-r--r-- root/root 3437 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.g++.4 -rw-r--r-- root/root 8486 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.shear.g++.1 -rw-r--r-- root/root 8480 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.shear.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/ -rw-r--r-- root/root 503 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/HGa.meam -rw-r--r-- root/root 93 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/README.md -rw-r--r-- root/root 762 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/data.msmeam.bu -rw-r--r-- root/root 878 2024-02-13 23:51 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23:51 ./usr/share/lammps/examples/mesh/in.marble_race -rw-r--r-- root/root 1427 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/in.mesh_box -rw-r--r-- root/root 6878 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.1 -rw-r--r-- root/root 7101 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.4 -rw-r--r-- root/root 7441 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.1 -rw-r--r-- root/root 7448 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.4 -rw-r--r-- root/root 1919 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/open_box.stl lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mesh/race_track.stl -> ../PACKAGES/machdyn/funnel_flow/boundary.stl drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/ -rw-r--r-- root/root 64444 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/data.micelle -rw-r--r-- root/root 409 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/def.micelle -rw-r--r-- root/root 1327 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/in.micelle -rw-r--r-- root/root 1652 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/in.micelle-rigid -rw-r--r-- root/root 9400 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/log.29Mar2019.micelle-rigid.g++.1 -rw-r--r-- root/root 9408 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/log.29Mar2019.micelle-rigid.g++.4 -rw-r--r-- root/root 8330 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/log.29Mar2019.micelle.g++.1 -rw-r--r-- root/root 8331 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/log.29Mar2019.micelle.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/min/ -rw-r--r-- root/root 757 2024-02-13 23:51 ./usr/share/lammps/examples/min/in.min -rw-r--r-- root/root 1696 2024-02-13 23:51 ./usr/share/lammps/examples/min/in.min.box -rw-r--r-- root/root 31229 2024-02-13 23:51 ./usr/share/lammps/examples/min/log.27Nov18.min.box.g++.1 -rw-r--r-- root/root 30239 2024-02-13 23:51 ./usr/share/lammps/examples/min/log.27Nov18.min.box.g++.4 -rw-r--r-- root/root 5680 2024-02-13 23:51 ./usr/share/lammps/examples/min/log.27Nov18.min.g++.1 -rw-r--r-- root/root 5388 2024-02-13 23:51 ./usr/share/lammps/examples/min/log.27Nov18.min.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Cu.nn.mliap.model -> ../../potentials/Cu.nn.mliap.model lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Cu.snap.mliap.descriptor -> ../../potentials/Cu.snap.mliap.descriptor lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/InP_JCPA2020.mliap -> ../../potentials/InP_JCPA2020.mliap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/InP_JCPA2020.mliap.descriptor -> ../../potentials/InP_JCPA2020.mliap.descriptor lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/InP_JCPA2020.mliap.model -> ../../potentials/InP_JCPA2020.mliap.model -rw-r--r-- root/root 1034 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/Ni_Mo.data lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ni_Mo.mliap.descriptor -> ../../potentials/Ni_Mo.mliap.descriptor lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ni_Mo.mliap.model -> ../../potentials/Ni_Mo.mliap.model -rw-r--r-- root/root 5145 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/README lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Si.nn.mliap.descriptor -> ../../potentials/Si.nn.mliap.descriptor lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Si.nn.mliap.model -> ../../potentials/Si.nn.mliap.model lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ta06A.mliap -> ../../potentials/Ta06A.mliap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ta06A.mliap.descriptor -> ../../potentials/Ta06A.mliap.descriptor lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ta06A.mliap.model -> ../../potentials/Ta06A.mliap.model lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ta06A.nn.mliap -> ../../potentials/Ta06A.nn.mliap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ta06A.nn.mliap.model -> ../../potentials/Ta06A.nn.mliap.model lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/Ta06A.pytorch.mliap -> ../../potentials/Ta06A.pytorch.mliap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/W.quadratic.mliap -> ../../potentials/W.quadratic.mliap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/W.quadratic.mliap.descriptor -> ../../potentials/W.quadratic.mliap.descriptor lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/W.quadratic.mliap.model -> ../../potentials/W.quadratic.mliap.model lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/WBe_Wood_PRB2019.mliap -> ../../potentials/WBe_Wood_PRB2019.mliap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/WBe_Wood_PRB2019.mliap.descriptor -> ../../potentials/WBe_Wood_PRB2019.mliap.descriptor lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/mliap/WBe_Wood_PRB2019.mliap.model -> ../../potentials/WBe_Wood_PRB2019.mliap.model -rw-r--r-- root/root 211 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.mliap.descriptor -rw-r--r-- root/root 4029 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.quadratic.gg0.dat -rw-r--r-- root/root 4029 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.quadratic.gg1.dat -rw-r--r-- root/root 1000 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.snap.gg0.dat -rw-r--r-- root/root 1000 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.snap.gg1.dat -rw-r--r-- root/root 874 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/convert_mliap_Ta06A.py -rw-r--r-- root/root 1138 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.nn.Cu -rw-r--r-- root/root 1058 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.nn.Ta06A -rw-r--r-- root/root 1071 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.pytorch.Ta06A -rw-r--r-- root/root 1069 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.pytorch.relu1hidden -rw-r--r-- root/root 3138 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.quadratic.compute -rw-r--r-- root/root 1055 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.Ta06A -rw-r--r-- root/root 1214 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.WBe.PRB2019 -rw-r--r-- root/root 823 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.chem -rw-r--r-- root/root 3083 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.compute -rw-r--r-- root/root 1073 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.quadratic -rw-r--r-- root/root 552 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.so3.Ni_Mo -rw-r--r-- root/root 1217 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.so3.nn.Si -rw-r--r-- root/root 1140 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.unified.lj.Ar drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/ -rw-r--r-- root/root 2608 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/README.md -rw-r--r-- root/root 262 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/deploy_script.py -rw-r--r-- root/root 825 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/in.run -rw-r--r-- root/root 234 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_jax.pkl -rw-r--r-- root/root 1910 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_unified_jax.py -rw-r--r-- root/root 181 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_unified_jax_Ar.pkl -rw-r--r-- root/root 2236 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_unified_jax_kokkos.py -rw-r--r-- root/root 2748 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/write_unified.py -rw-r--r-- root/root 10589 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.quadratic.compute.g++.1 -rw-r--r-- root/root 10765 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.quadratic.compute.g++.4 -rw-r--r-- root/root 10518 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.snap.compute.g++.1 -rw-r--r-- root/root 10698 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.snap.compute.g++.4 -rw-r--r-- root/root 5644 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.1 -rw-r--r-- root/root 5646 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.4 -rw-r--r-- root/root 4711 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.1 -rw-r--r-- root/root 4710 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.4 -rw-r--r-- root/root 5587 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.1 -rw-r--r-- root/root 5589 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.4 -rw-r--r-- root/root 3110 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.1 -rw-r--r-- root/root 3113 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.4 -rw-r--r-- root/root 4489 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.1 -rw-r--r-- root/root 4488 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.4 -rw-r--r-- root/root 5450 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.Ta06A.g++.1 -rw-r--r-- root/root 5445 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.Ta06A.g++.4 -rw-r--r-- root/root 6064 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.WBe.PRB2019.g++.1 -rw-r--r-- root/root 6059 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.WBe.PRB2019.g++.4 -rw-r--r-- root/root 5524 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.chem.g++.1 -rw-r--r-- root/root 5526 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.chem.g++.4 -rw-r--r-- root/root 5174 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.quadratic.g++.1 -rw-r--r-- root/root 5171 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.quadratic.g++.4 -rw-r--r-- root/root 3871 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.23Sep22.mliap.unified.lj.Ar.g++.1 -rw-r--r-- root/root 3875 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.23Sep22.mliap.unified.lj.Ar.g++.4 -rw-r--r-- root/root 2344 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_numpy_Ta06A.py -rw-r--r-- root/root 2751 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_pytorch_Ta06A.py -rw-r--r-- root/root 2851 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_pytorch_Ta06A_kokkos.py -rw-r--r-- root/root 1626 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_unified_lj_Ar.py -rw-r--r-- root/root 572 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/relu1hidden.mliap.pytorch -rw-r--r-- root/root 11506 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/relu1hidden.mliap.pytorch.model.pt drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/msst/ -rw-r--r-- root/root 1159 2024-02-13 23:51 ./usr/share/lammps/examples/msst/in.msst -rw-r--r-- root/root 7924 2024-02-13 23:51 ./usr/share/lammps/examples/msst/log.08Feb21.msst.g++.1 -rw-r--r-- root/root 7924 2024-02-13 23:51 ./usr/share/lammps/examples/msst/log.08Feb21.msst.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/multi/ -rw-r--r-- root/root 1398209 2024-02-13 23:51 ./usr/share/lammps/examples/multi/data.powerlaw -rw-r--r-- root/root 1986 2024-02-13 23:51 ./usr/share/lammps/examples/multi/in.colloid -rw-r--r-- root/root 1400 2024-02-13 23:51 ./usr/share/lammps/examples/multi/in.granular -rw-r--r-- root/root 806 2024-02-13 23:51 ./usr/share/lammps/examples/multi/in.powerlaw -rw-r--r-- root/root 8095 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.intel.1 -rw-r--r-- root/root 8094 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.intel.4 -rw-r--r-- root/root 8103 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.old.intel.1 -rw-r--r-- root/root 8103 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.old.intel.4 -rw-r--r-- root/root 8019 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.intel.1 -rw-r--r-- root/root 8022 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.intel.4 -rw-r--r-- root/root 8026 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.old.intel.1 -rw-r--r-- root/root 8030 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.old.intel.4 -rw-r--r-- root/root 21114 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.powerlaw.intel.1 -rw-r--r-- root/root 21097 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.powerlaw.intel.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/nb3b/ -rw-r--r-- root/root 1795 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/MOH.nb3b.harmonic lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/nb3b/PSiO.nb3b.screened -> ../../potentials/PSiO.nb3b.screened -rw-r--r-- root/root 1692 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/README.nb3b.screened -rw-r--r-- root/root 644978 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/Table_NP.dat -rw-r--r-- root/root 402390 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/data.NaPO3 -rw-r--r-- root/root 122201 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/data.nb3b -rw-r--r-- root/root 1347 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/in.nb3b -rw-r--r-- root/root 899 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/in.nb3b.screened -rw-r--r-- root/root 8330 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.1 -rw-r--r-- root/root 8289 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.4 -rw-r--r-- root/root 5766 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.1 -rw-r--r-- root/root 5769 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/neb/ -rw-r--r-- root/root 1242 2024-02-13 23:51 ./usr/share/lammps/examples/neb/README -rw-r--r-- root/root 782 2024-02-13 23:51 ./usr/share/lammps/examples/neb/Si.sw -rw-r--r-- root/root 18 2024-02-13 23:51 ./usr/share/lammps/examples/neb/final.hop1 -rw-r--r-- root/root 18 2024-02-13 23:51 ./usr/share/lammps/examples/neb/final.hop2 -rw-r--r-- root/root 212 2024-02-13 23:51 ./usr/share/lammps/examples/neb/final.sivac -rw-r--r-- root/root 1529 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.hop1 -rw-r--r-- root/root 1349 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.hop1.end -rw-r--r-- root/root 1589 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.hop2 -rw-r--r-- root/root 1733 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.sivac -rw-r--r-- root/root 64771 2024-02-13 23:51 ./usr/share/lammps/examples/neb/initial.hop1 -rw-r--r-- root/root 64797 2024-02-13 23:51 ./usr/share/lammps/examples/neb/initial.hop1.end -rw-r--r-- root/root 64925 2024-02-13 23:51 ./usr/share/lammps/examples/neb/initial.hop2 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root/root 1132 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/README -rw-r--r-- root/root 4339 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/data.FeOH3 -rw-r--r-- root/root 13157 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/ffield.reax.Fe_O_C_H -rw-r--r-- root/root 505 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/in.FeOH3 -rw-r--r-- root/root 405 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/lmp_control -rw-r--r-- root/root 6350 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/log.30Nov23.FeOH3.g++.1 -rw-r--r-- root/root 6350 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/log.30Nov23.FeOH3.g++.4 -rw-r--r-- root/root 72 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/param.qeq drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/ -rw-r--r-- root/root 2517 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/README.txt -rw-r--r-- root/root 54692 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/data.hns-equil -rw-r--r-- root/root 13576 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/ffield.reax.hns -rw-r--r-- root/root 840 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/in.reaxff.hns -rw-r--r-- root/root 5612 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.1 -rw-r--r-- root/root 5618 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/ -rw-r--r-- root/root 1516 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/README -rw-r--r-- root/root 4346 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/data.RDX -rw-r--r-- root/root 12745 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/ffield.reax.rdx -rw-r--r-- root/root 508 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/in.RDX -rw-r--r-- root/root 406 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/lmp_control -rw-r--r-- root/root 6343 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/log.30Nov23.RDX.g++.1 -rw-r--r-- root/root 6347 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/log.30Nov23.RDX.g++.4 -rw-r--r-- root/root 96 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/param.qeq -rw-r--r-- root/root 1532 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/ -rw-r--r-- root/root 931 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/README -rw-r--r-- root/root 4146 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/data.VOH -rw-r--r-- root/root 13610 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/ffield.reax.V_O_C_H -rw-r--r-- root/root 498 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/in.VOH -rw-r--r-- root/root 406 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/lmp_control -rw-r--r-- root/root 5553 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/log.30Nov23.VOH.g++.1 -rw-r--r-- root/root 5553 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/log.30Nov23.VOH.g++.4 -rw-r--r-- root/root 96 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/param.qeq drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/ -rw-r--r-- root/root 1027 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/README -rw-r--r-- root/root 4338 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/data.ZnOH2 -rw-r--r-- root/root 8096 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/ffield.reax.ZnOH -rw-r--r-- root/root 501 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/in.ZnOH2 -rw-r--r-- root/root 365 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/lmp_control -rw-r--r-- root/root 4685 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.1 -rw-r--r-- root/root 4687 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.4 -rw-r--r-- root/root 72 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/param.qeq drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/ -rw-r--r-- root/root 56688 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/CH4.dat -rw-r--r-- root/root 1354137 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/ci-reaxFF_ZBL.dat -rw-r--r-- root/root 26 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/control -rw-r--r-- root/root 6580 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/ffield.ci-reax.CH -rw-r--r-- root/root 609 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/in.ci-reax.CH -rw-r--r-- root/root 4249 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/log.30Nov23.ci-reax.CH.g++.1 -rw-r--r-- root/root 4249 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/log.30Nov23.ci-reax.CH.g++.4 -rw-r--r-- root/root 1009 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/control.reax_c.rdx -rw-r--r-- root/root 1011 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/control.reax_c.tatb -rw-r--r-- root/root 967 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/data.rdx -rw-r--r-- root/root 18717 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/data.tatb -rw-r--r-- root/root 12745 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ffield.reax -rw-r--r-- root/root 1401 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.rdx -rw-r--r-- root/root 1402 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.rdx-shielded -rw-r--r-- root/root 1788 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.tatb -rw-r--r-- root/root 1530 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.tatb-shielded -rw-r--r-- root/root 7995 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx-shielded.g++.1 -rw-r--r-- root/root 7996 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx-shielded.g++.4 -rw-r--r-- root/root 8203 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx.g++.1 -rw-r--r-- root/root 8203 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx.g++.4 -rw-r--r-- root/root 6883 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb-shielded.g++.1 -rw-r--r-- root/root 6881 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb-shielded.g++.4 -rw-r--r-- root/root 7088 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb.g++.1 -rw-r--r-- root/root 7087 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/reaxff/water/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/reaxff/water/acks2_ff.water -> ../../../potentials/acks2_ff.water -rw-r--r-- root/root 316016 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/data.water -rw-r--r-- root/root 694 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.acks2 -rw-r--r-- root/root 788 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.acks2.field -rw-r--r-- root/root 687 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.qeq -rw-r--r-- root/root 781 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.qeq.field -rw-r--r-- root/root 4488 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2-field.g++.1 -rw-r--r-- root/root 4487 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2-field.g++.4 -rw-r--r-- root/root 4079 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2.g++.1 -rw-r--r-- root/root 4079 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2.g++.4 -rw-r--r-- root/root 4428 2024-02-13 23:51 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-rw-r--r-- root/root 556 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.first -rw-r--r-- root/root 669 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.rdf.first -rw-r--r-- root/root 544 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.rdf.rerun -rw-r--r-- root/root 664 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.read_dump -rw-r--r-- root/root 477 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.rerun -rw-r--r-- root/root 3375 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.first.g++.4 -rw-r--r-- root/root 3659 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.rdf.first.g++.4 -rw-r--r-- root/root 3538 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.rdf.rerun.g++.4 -rw-r--r-- root/root 3609 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.read_dump.g++.4 -rw-r--r-- root/root 2822 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.rerun.g++.4 -rw-r--r-- root/root 1161 2024-02-13 23:51 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root/root 19990 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.molecule.g++.4 -rw-r--r-- root/root 19253 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.1 -rw-r--r-- root/root 19254 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.4 -rw-r--r-- root/root 19346 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems2.g++.1 -rw-r--r-- root/root 19347 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems2.g++.4 -rw-r--r-- root/root 19315 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.1 -rw-r--r-- root/root 19313 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.4 -rw-r--r-- root/root 19188 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.1 -rw-r--r-- root/root 19189 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.4 -rw-r--r-- root/root 19191 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.1 -rw-r--r-- root/root 19191 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.4 -rw-r--r-- root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.1 -rw-r--r-- root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.4 -rw-r--r-- root/root 19179 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.1 -rw-r--r-- root/root 19179 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.4 -rw-r--r-- root/root 19262 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.infile.g++.1 -rw-r--r-- root/root 19259 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.infile.g++.4 -rw-r--r-- root/root 18984 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomfile.g++.1 -rw-r--r-- root/root 18991 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomfile.g++.4 -rw-r--r-- root/root 19130 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.1 -rw-r--r-- root/root 19138 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.4 -rw-r--r-- root/root 19020 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.early.g++.1 -rw-r--r-- root/root 19027 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.early.g++.4 -rw-r--r-- root/root 18989 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.1 -rw-r--r-- root/root 18996 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.4 -rw-r--r-- root/root 19039 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.1 -rw-r--r-- root/root 19043 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.4 -rw-r--r-- root/root 19008 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.g++.1 -rw-r--r-- root/root 19012 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.g++.4 -rw-r--r-- root/root 19072 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.1 -rw-r--r-- root/root 19080 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.4 -rw-r--r-- root/root 29551 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.1 -rw-r--r-- root/root 29569 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.4 -rw-r--r-- root/root 519 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/molecule.data -rw-r--r-- root/root 396 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/unconnected-bodies.dat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/shear/ -rw-r--r-- root/root 36573 2024-02-13 23:51 ./usr/share/lammps/examples/shear/Ni_u3.eam -rw-r--r-- root/root 1541 2024-02-13 23:51 ./usr/share/lammps/examples/shear/in.shear -rw-r--r-- root/root 1551 2024-02-13 23:51 ./usr/share/lammps/examples/shear/in.shear.void -rw-r--r-- root/root 8113 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.g++.1 -rw-r--r-- root/root 8123 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.g++.4 -rw-r--r-- root/root 8166 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.void.g++.1 -rw-r--r-- root/root 8164 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.void.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/C_SNAP_2021.10.15.quadratic.snapcoeff -> ../../potentials/C_SNAP_2021.10.15.quadratic.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/C_SNAP_2021.10.15.quadratic.snapparam -> ../../potentials/C_SNAP_2021.10.15.quadratic.snapparam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/He_He_JW2013.table -> ../../potentials/He_He_JW2013.table lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/InP_JCPA2020.snap -> ../../potentials/InP_JCPA2020.snap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/InP_JCPA2020.snapcoeff -> ../../potentials/InP_JCPA2020.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/InP_JCPA2020.snapparam -> ../../potentials/InP_JCPA2020.snapparam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Mo_Chen_PRM2017.snap -> ../../potentials/Mo_Chen_PRM2017.snap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Mo_Chen_PRM2017.snapcoeff -> ../../potentials/Mo_Chen_PRM2017.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Mo_Chen_PRM2017.snapparam -> ../../potentials/Mo_Chen_PRM2017.snapparam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.quadratic.snapcoeff -> ../../potentials/Ni_Zuo_JPCA2020.quadratic.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.quadratic.snapparam -> ../../potentials/Ni_Zuo_JPCA2020.quadratic.snapparam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.snapcoeff -> ../../potentials/Ni_Zuo_JPCA2020.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.snapparam -> ../../potentials/Ni_Zuo_JPCA2020.snapparam -rw-r--r-- root/root 938 2024-02-13 23:51 ./usr/share/lammps/examples/snap/README.md lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Ta06A.snap -> ../../potentials/Ta06A.snap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Ta06A.snapcoeff -> ../../potentials/Ta06A.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/Ta06A.snapparam -> ../../potentials/Ta06A.snapparam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/WBe_Wood_PRB2019.snap -> ../../potentials/WBe_Wood_PRB2019.snap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/WBe_Wood_PRB2019.snapcoeff -> ../../potentials/WBe_Wood_PRB2019.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/WBe_Wood_PRB2019.snapparam -> ../../potentials/WBe_Wood_PRB2019.snapparam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/W_2940_2017_2.snap -> ../../potentials/W_2940_2017_2.snap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/W_2940_2017_2.snapcoeff -> ../../potentials/W_2940_2017_2.snapcoeff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/W_2940_2017_2.snapparam -> ../../potentials/W_2940_2017_2.snapparam lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/W_2940_2017_2_He_JW2013.snap -> ../../potentials/W_2940_2017_2_He_JW2013.snap lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/snap/W_He_JW2013.table -> ../../potentials/W_He_JW2013.table -rw-r--r-- root/root 4553 2024-02-13 23:51 ./usr/share/lammps/examples/snap/compute_snap_dgrad.py -rw-r--r-- root/root 1058 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.C_SNAP -rw-r--r-- root/root 2316 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.grid.snap -rw-r--r-- root/root 2963 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.grid.tri -rw-r--r-- root/root 803 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.InP.JCPA2020 -rw-r--r-- root/root 749 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.Mo_Chen -rw-r--r-- root/root 739 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.Ta06A -rw-r--r-- root/root 747 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.W.2940 -rw-r--r-- root/root 902 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.WBe.PRB2019 -rw-r--r-- root/root 2753 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.compute -rw-r--r-- root/root 2783 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.compute.quadratic -rw-r--r-- root/root 931 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.hybrid.WSNAP.HePair -rw-r--r-- root/root 1323 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.scale.Ni_Zuo_JCPA2020 -rw-r--r-- root/root 7306 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.1 -rw-r--r-- root/root 7401 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.4 -rw-r--r-- root/root 7341 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.1 -rw-r--r-- root/root 7437 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.4 -rw-r--r-- root/root 5340 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.1 -rw-r--r-- root/root 5338 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.4 -rw-r--r-- root/root 4345 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.1 -rw-r--r-- root/root 4343 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.4 -rw-r--r-- root/root 4805 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.1 -rw-r--r-- root/root 4800 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.4 -rw-r--r-- root/root 4936 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.1 -rw-r--r-- root/root 4931 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.4 -rw-r--r-- root/root 5286 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.1 -rw-r--r-- root/root 5281 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.4 -rw-r--r-- root/root 6631 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.1 -rw-r--r-- root/root 6630 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.4 -rw-r--r-- root/root 6702 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.1 -rw-r--r-- root/root 6798 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.4 -rw-r--r-- root/root 7859 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.1 -rw-r--r-- root/root 7858 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.4 -rw-r--r-- root/root 5049 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.1 -rw-r--r-- root/root 5042 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/srd/ -rw-r--r-- root/root 2106 2024-02-13 23:51 ./usr/share/lammps/examples/srd/in.srd.mixture -rw-r--r-- root/root 1010 2024-02-13 23:51 ./usr/share/lammps/examples/srd/in.srd.pure -rw-r--r-- root/root 17978 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.1 -rw-r--r-- root/root 17986 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.4 -rw-r--r-- root/root 8213 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.1 -rw-r--r-- root/root 8212 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/ -rw-r--r-- root/root 2696 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/in.bcc -rw-r--r-- root/root 2518 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/in.fcc -rw-r--r-- root/root 3100 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/in.icos -rw-r--r-- root/root 6050 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.bcc.g++.1 -rw-r--r-- root/root 6050 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.bcc.g++.4 -rw-r--r-- root/root 5788 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.fcc.g++.1 -rw-r--r-- root/root 5781 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.fcc.g++.4 -rw-r--r-- root/root 8341 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.icos.g++.1 -rw-r--r-- root/root 8350 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.icos.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/ -rw-r--r-- root/root 170686 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/AlO.eam.alloy -rw-r--r-- root/root 455 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/AlO.streitz -rw-r--r-- root/root 144528 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/data.streitz -rw-r--r-- root/root 1469 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/in.streitz.ewald -rw-r--r-- root/root 1464 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/in.streitz.wolf -rw-r--r-- root/root 6066 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.ewald.g++.1 -rw-r--r-- root/root 6021 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.ewald.g++.4 -rw-r--r-- root/root 5673 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.wolf.g++.1 -rw-r--r-- root/root 5630 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.wolf.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/tad/ -rw-r--r-- root/root 125 2024-02-13 23:51 ./usr/share/lammps/examples/tad/README -rw-r--r-- root/root 782 2024-02-13 23:51 ./usr/share/lammps/examples/tad/Si.sw -rw-r--r-- root/root 2711 2024-02-13 23:51 ./usr/share/lammps/examples/tad/in.tad -rw-r--r-- root/root 1846 2024-02-13 23:51 ./usr/share/lammps/examples/tad/log.5Oct16.tad.g++.3 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/template/ -rw-r--r-- root/root 464 2024-02-13 23:51 ./usr/share/lammps/examples/template/co2.mol -rw-r--r-- root/root 745 2024-02-13 23:51 ./usr/share/lammps/examples/template/cyclohexane.mol -rw-r--r-- root/root 29198 2024-02-13 23:51 ./usr/share/lammps/examples/template/h2o-co2.data -rw-r--r-- root/root 514 2024-02-13 23:51 ./usr/share/lammps/examples/template/h2o.mol -rw-r--r-- root/root 799 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.hybrid -rw-r--r-- root/root 465 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.mol-data-mix -rw-r--r-- root/root 302 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.mol-restart-mix -rw-r--r-- root/root 1114 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.molecular-mix -rw-r--r-- root/root 1047 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.template-mix -rw-r--r-- root/root 470 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.tmpl-data-mix -rw-r--r-- root/root 301 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.tmpl-restart-mix -rw-r--r-- root/root 6648 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.hybrid.g++.1 -rw-r--r-- root/root 6649 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.hybrid.g++.4 -rw-r--r-- root/root 4837 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-data-mix.g++.1 -rw-r--r-- root/root 4837 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-data-mix.g++.4 -rw-r--r-- root/root 4696 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-restart-mix.g++.1 -rw-r--r-- root/root 4784 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-restart-mix.g++.4 -rw-r--r-- root/root 7728 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.molecular-mix.g++.1 -rw-r--r-- root/root 7802 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.molecular-mix.g++.4 -rw-r--r-- root/root 7663 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.template-mix.g++.1 -rw-r--r-- root/root 7740 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.template-mix.g++.4 -rw-r--r-- root/root 4352 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-data-mix.g++.1 -rw-r--r-- root/root 4352 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-data-mix.g++.4 -rw-r--r-- root/root 4616 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-restart-mix.g++.1 -rw-r--r-- root/root 4527 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-restart-mix.g++.4 -rw-r--r-- root/root 747887 2024-02-13 23:51 ./usr/share/lammps/examples/template/molecular-mix.data -rw-r--r-- root/root 573839 2024-02-13 23:51 ./usr/share/lammps/examples/template/template-mix.data drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/tersoff/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/tersoff/BNC.tersoff -> ../../potentials/BNC.tersoff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/tersoff/Si.tersoff -> ../../potentials/Si.tersoff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/tersoff/Si.tersoff.mod -> ../../potentials/Si.tersoff.mod lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/tersoff/Si.tersoff.modc -> ../../potentials/Si.tersoff.modc -rw-r--r-- root/root 89120 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/hBN-monolayer-5nm.data -rw-r--r-- root/root 1183 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/in.hBN_shift -rw-r--r-- root/root 3482 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/in.tersoff -rw-r--r-- root/root 20678 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.09Feb21.tersoff.g++.1 -rw-r--r-- root/root 20678 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.09Feb21.tersoff.g++.4 -rw-r--r-- root/root 4333 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.13Jan21.hBN_shift.g++.1 -rw-r--r-- root/root 4333 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.13Jan21.hBN_shift.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/threebody/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/threebody/BNC.tersoff -> ../../potentials/BNC.tersoff lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/threebody/CdTeZnSeHgS0.sw -> ../../potentials/CdTeZnSeHgS0.sw lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/threebody/InP.vashishta -> ../../potentials/InP.vashishta lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/threebody/Si.sw -> ../../potentials/Si.sw lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/threebody/SiC.tersoff.zbl -> ../../potentials/SiC.tersoff.zbl -rw-r--r-- root/root 837 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/in.mos2.sw.mod -rw-r--r-- root/root 3471 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/in.threebody -rw-r--r-- root/root 3587 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/log.27Oct21.mos2_sw_mod.g++.1 -rw-r--r-- root/root 20764 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.1 -rw-r--r-- root/root 20764 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.4 -rw-r--r-- root/root 58745 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/single_layer_MoS2.data lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/threebody/tmd.sw.mod -> ../../potentials/tmd.sw.mod drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/ -rw-r--r-- root/root 143225 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/contact_history.dat -rw-r--r-- root/root 839 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/in.track -rw-r--r-- root/root 1053 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/lifetime_hist.dat -rw-r--r-- root/root 4474 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/log.8Apr21.tracker.g++.1 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/reference/ -rw-r--r-- root/root 143115 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/reference/contact_history.dat -rw-r--r-- root/root 1053 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/reference/lifetime_hist.dat drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/ttm/ -rw-r--r-- root/root 487459 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/FeVoter-ChenRecheck.fs lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/ttm/Si.sw -> ../../potentials/Si.sw -rw-r--r-- root/root 880 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/Si.ttm_mod -rw-r--r-- root/root 1128 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/in.ttm -rw-r--r-- root/root 1701 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/in.ttm.grid -rw-r--r-- root/root 745 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/in.ttm.mod -rw-r--r-- root/root 4788 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.1 -rw-r--r-- root/root 4924 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.4 -rw-r--r-- root/root 5889 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.1 -rw-r--r-- root/root 6014 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.4 -rw-r--r-- root/root 5270 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.1 -rw-r--r-- root/root 5271 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.4 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/vashishta/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/vashishta/InP.vashishta -> ../../potentials/InP.vashishta lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/lammps/examples/vashishta/SiO.1990.vashishta -> ../../potentials/SiO.1990.vashishta -rw-r--r-- root/root 684 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/data.quartz -rw-r--r-- root/root 1405 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.inp -rw-r--r-- root/root 469 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.sio2 -rw-r--r-- root/root 1423 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.table.inp -rw-r--r-- root/root 519 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.table.sio2 -rw-r--r-- root/root 216265 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.1 -rw-r--r-- root/root 216405 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.4 -rw-r--r-- root/root 3355 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.1 -rw-r--r-- root/root 3356 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.4 -rw-r--r-- root/root 216593 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.1 -rw-r--r-- root/root 216412 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.4 -rw-r--r-- root/root 3450 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.1 -rw-r--r-- root/root 3452 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/ -rw-r--r-- root/root 474 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/README -rw-r--r-- root/root 6141 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/in.voronoi -rw-r--r-- root/root 1107 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/in.voronoi.2d -rw-r--r-- root/root 1760 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/in.voronoi.data -rw-r--r-- root/root 4366 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.1 -rw-r--r-- root/root 4361 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.4 -rw-r--r-- root/root 5115 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.1 -rw-r--r-- root/root 5115 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.4 -rw-r--r-- root/root 24002 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.1 -rw-r--r-- root/root 24017 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/wall/ -rw-r--r-- root/root 628 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.ccl -rw-r--r-- root/root 537 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.diffusive -rw-r--r-- root/root 2622 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.lepton -rw-r--r-- root/root 597 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.maxwell -rw-r--r-- root/root 435 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.specular -rw-r--r-- root/root 2900 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.table -rw-r--r-- root/root 34401 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.1 -rw-r--r-- root/root 34399 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.4 -rw-r--r-- root/root 44125 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.1 -rw-r--r-- root/root 44129 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.4 -rw-r--r-- root/root 3228 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.1 -rw-r--r-- root/root 3227 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.4 -rw-r--r-- root/root 3139 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.1 -rw-r--r-- root/root 3139 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.4 -rw-r--r-- root/root 3195 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.1 -rw-r--r-- root/root 3206 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.4 -rw-r--r-- root/root 3037 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.1 -rw-r--r-- root/root 3035 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.4 -rw-r--r-- root/root 341 2024-02-13 23:51 ./usr/share/lammps/examples/wall/wall.inc -rw-r--r-- root/root 93822 2024-02-13 23:51 ./usr/share/lammps/examples/wall/walltab.dat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/yaml/ -rw-r--r-- root/root 858 2024-02-13 23:51 ./usr/share/lammps/examples/yaml/in.yaml -rw-r--r-- root/root 7357 2024-02-13 23:51 ./usr/share/lammps/examples/yaml/log.7Apr22.yaml.g++.1 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lintian/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lintian/overrides/ -rw-r--r-- root/root 25 2024-02-18 15:27 ./usr/share/lintian/overrides/lammps-examples lammps_20240207+dfsg-1.1_arm64.deb ---------------------------------- new Debian package, version 2.0. size 18192 bytes: control archive=1152 bytes. 51 bytes, 2 lines conffiles 1142 bytes, 23 lines control 317 bytes, 5 lines md5sums Package: lammps Version: 20240207+dfsg-1.1 Architecture: arm64 Maintainer: Debian Science Maintainers Installed-Size: 110 Depends: lammps-data, libc6 (>= 2.34), libgcc-s1 (>= 3.0), liblammps0t64 (>= 20240207+dfsg), libopenmpi3t64 (>= 5.0.5), libstdc++6 (>= 4.1.1), mpi-default-bin Recommends: lammps-doc Suggests: python3, openkim-models Section: science Priority: optional Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. drwxr-xr-x root/root 0 2024-02-28 16:51 ./ drwxr-xr-x root/root 0 2024-02-28 16:51 ./etc/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./etc/profile.d/ -rw-r--r-- root/root 256 2024-02-28 16:51 ./etc/profile.d/lammps.csh -rw-r--r-- root/root 257 2024-02-28 16:51 ./etc/profile.d/lammps.sh drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/bin/ -rwxr-xr-x root/root 68032 2024-02-28 16:51 ./usr/bin/lmp drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/lammps/ -rw-r--r-- root/root 3463 2024-02-28 16:51 ./usr/share/doc/lammps/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/lammps/copyright drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lintian/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lintian/overrides/ -rw-r--r-- root/root 53 2024-02-18 15:27 ./usr/share/lintian/overrides/lammps drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/man/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/man/man1/ -rw-r--r-- root/root 4988 2024-02-28 16:51 ./usr/share/man/man1/lmp.1.gz liblammps-dev_20240207+dfsg-1.1_arm64.deb ----------------------------------------- new Debian package, version 2.0. size 114024 bytes: control archive=2192 bytes. 1157 bytes, 26 lines control 3055 bytes, 46 lines md5sums Package: liblammps-dev Source: lammps Version: 20240207+dfsg-1.1 Architecture: arm64 Maintainer: Debian Science Maintainers Installed-Size: 589 Depends: liblammps0t64 (= 20240207+dfsg-1.1), mpi-default-dev Recommends: lammps-doc Section: science Priority: optional Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (dev files) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . This package contains development files and headers to build applications using the LAMMPS shared library. drwxr-xr-x root/root 0 2024-02-28 16:51 ./ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/include/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/include/lammps/ -rw-r--r-- root/root 3478 2024-02-13 23:51 ./usr/include/lammps/angle.h -rw-r--r-- root/root 13387 2024-02-13 23:51 ./usr/include/lammps/atom.h -rw-r--r-- root/root 3813 2024-02-13 23:51 ./usr/include/lammps/bond.h -rw-r--r-- root/root 1572 2024-02-13 23:51 ./usr/include/lammps/citeme.h -rw-r--r-- root/root 7747 2024-02-13 23:51 ./usr/include/lammps/comm.h -rw-r--r-- root/root 930 2024-02-13 23:51 ./usr/include/lammps/command.h -rw-r--r-- root/root 7787 2024-02-13 23:51 ./usr/include/lammps/compute.h -rw-r--r-- root/root 3120 2024-02-13 23:51 ./usr/include/lammps/dihedral.h -rw-r--r-- root/root 6404 2024-02-13 23:51 ./usr/include/lammps/domain.h -rw-r--r-- root/root 3124 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2024-02-28 16:51 ./usr/lib/aarch64-linux-gnu/liblammps.so -> liblammps.so.0 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/aarch64-linux-gnu/pkgconfig/ -rw-r--r-- root/root 898 2024-02-28 16:51 ./usr/lib/aarch64-linux-gnu/pkgconfig/liblammps.pc drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/liblammps-dev/ -rw-r--r-- root/root 3463 2024-02-28 16:51 ./usr/share/doc/liblammps-dev/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/liblammps-dev/copyright liblammps0t64-dbgsym_20240207+dfsg-1.1_arm64.deb ------------------------------------------------ new Debian package, version 2.0. size 82208288 bytes: control archive=560 bytes. 433 bytes, 13 lines control 106 bytes, 1 lines md5sums Package: liblammps0t64-dbgsym Source: lammps Version: 20240207+dfsg-1.1 Auto-Built-Package: debug-symbols Architecture: arm64 Maintainer: Debian Science Maintainers Installed-Size: 83646 Depends: liblammps0t64 (= 20240207+dfsg-1.1) Section: debug Priority: optional Multi-Arch: same Description: debug symbols for liblammps0t64 Build-Ids: 9828aa7d06dadbbed50fedac1be0d5ba6757db3d drwxr-xr-x root/root 0 2024-02-28 16:51 ./ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/debug/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/debug/.build-id/98/ -rw-r--r-- root/root 85643048 2024-02-28 16:51 ./usr/lib/debug/.build-id/98/28aa7d06dadbbed50fedac1be0d5ba6757db3d.debug drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/ lrwxrwxrwx root/root 0 2024-02-28 16:51 ./usr/share/doc/liblammps0t64-dbgsym -> liblammps0t64 liblammps0t64_20240207+dfsg-1.1_arm64.deb ----------------------------------------- new Debian package, version 2.0. size 6128520 bytes: control archive=1404 bytes. 1636 bytes, 28 lines control 305 bytes, 4 lines md5sums 45 bytes, 1 lines shlibs 66 bytes, 2 lines triggers Package: liblammps0t64 Source: lammps Version: 20240207+dfsg-1.1 Architecture: arm64 Maintainer: Debian Science Maintainers Installed-Size: 25081 Depends: libblas3 | libblas.so.3, libc6 (>= 2.38), libcurl4t64 (>= 7.16.2), libfftw3-double3 (>= 3.3.10), libgcc-s1 (>= 4.5), libgomp1 (>= 4.9), libhdf5-103-1t64, libjpeg62-turbo (>= 1.3.1), libkim-api2 (>= 2.3.0), liblapack3 | liblapack.so.3, libnetcdf19t64 (>= 4.0.1), libopenmpi3t64 (>= 5.0.5), libpnetcdf0d (>= 1.13.0), libpng16-16t64 (>= 1.6.2), libpython3.12t64 (>= 3.12.7), libstdc++6 (>= 14), libvoro++1 (>= 0.4.6), libvtk9.3 (>= 9.3.0+dfsg1), libzstd1 (>= 1.5.5), zlib1g (>= 1:1.1.4) Breaks: liblammps0 (<< 20240207+dfsg-1.1) Replaces: liblammps0 Provides: liblammps0 (= 20240207+dfsg-1.1) Section: science Priority: optional Multi-Arch: same Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (shared library) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . This package provides the LAMMPS shared library. drwxr-xr-x root/root 0 2024-02-28 16:51 ./ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/lib/aarch64-linux-gnu/ -rw-r--r-- root/root 25647752 2024-02-28 16:51 ./usr/lib/aarch64-linux-gnu/liblammps.so.0 drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/doc/liblammps0t64/ -rw-r--r-- root/root 3465 2024-02-28 16:51 ./usr/share/doc/liblammps0t64/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/liblammps0t64/copyright drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lintian/ drwxr-xr-x root/root 0 2024-02-28 16:51 ./usr/share/lintian/overrides/ -rw-r--r-- root/root 113 2024-02-28 16:49 ./usr/share/lintian/overrides/liblammps0t64 python3-lammps_20240207+dfsg-1.1_arm64.deb ------------------------------------------ new Debian package, version 2.0. size 72264 bytes: control archive=2800 bytes. 1096 bytes, 25 lines control 5058 bytes, 57 lines md5sums 275 bytes, 12 lines * postinst #!/bin/sh 388 bytes, 12 lines * prerm #!/bin/sh Package: python3-lammps Source: lammps Version: 20240207+dfsg-1.1 Architecture: arm64 Maintainer: Debian Science Maintainers Installed-Size: 440 Depends: liblammps-dev, python3:any, mpi-default-bin Recommends: python3-mpi4py, lammps-doc Section: python Priority: optional Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . 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Install lintian build dependencies (apt-based resolver) ------------------------------------------------------- Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following NEW packages will be installed: sbuild-build-depends-lintian-dummy 0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 852 B of archives. After this operation, 0 B of additional disk space will be used. Get:1 copy:/<>/apt_archive ./ sbuild-build-depends-lintian-dummy 0.invalid.0 [852 B] debconf: delaying package configuration, since apt-utils is not installed Fetched 852 B in 0s (0 B/s) Selecting previously unselected package sbuild-build-depends-lintian-dummy. (Reading database ... 106899 files and directories currently installed.) Preparing to unpack .../sbuild-build-depends-lintian-dummy_0.invalid.0_arm64.deb ... Unpacking sbuild-build-depends-lintian-dummy (0.invalid.0) ... Setting up sbuild-build-depends-lintian-dummy (0.invalid.0) ... Running lintian... E: lammps-examples: wrong-path-for-interpreter /usr/env/python3 != /usr/bin/python3 [usr/share/lammps/examples/PACKAGES/electrode/madelung/eval.py] W: lammps changes: distribution-and-changes-mismatch sid unstable W: lammps-doc: embedded-javascript-library please use sphinx [usr/share/doc/lammps/html/_static/doctools.js] W: lammps-doc: embedded-javascript-library please use sphinx [usr/share/doc/lammps/html/_static/language_data.js] W: lammps-doc: embedded-javascript-library please use sphinx [usr/share/doc/lammps/html/_static/searchtools.js] W: lammps-data: executable-not-elf-or-script [usr/share/lammps/potentials/CBNOH.aip.water.2dm] W: lammps-examples: executable-not-elf-or-script [usr/share/lammps/examples/PACKAGES/grem/lj-6rep/clean.sh] W: lammps-data: national-encoding [usr/share/emacs/site-lisp/lammps-mode.el] W: lammps-doc: privacy-breach-generic [