deb_control_files:
- control
- md5sums
deb_fields:
Architecture: arm64
Depends: atomes-data (= 1.1.15-1), libavcodec61 (>= 7:7.0), libavformat61 (>= 7:7.0),
libavutil59 (>= 7:7.0), libc6 (>= 2.38), libcairo2 (>= 1.6.0), libepoxy0 (>= 1.0),
libgcc-s1 (>= 4.0), libgdk-pixbuf-2.0-0 (>= 2.22.0), libgfortran5 (>= 10), libglib2.0-0t64
(>= 2.40.0), libgomp1 (>= 4.9), libgtk-3-0t64 (>= 3.21.5), libpango-1.0-0 (>=
1.22.0), libpangocairo-1.0-0 (>= 1.14.0), libpangoft2-1.0-0 (>= 1.14.0), libswscale8
(>= 7:7.0), libxml2 (>= 2.7.4), libglu1-mesa, bash-completion
Description: |-
atomic-scale 3D modeling toolbox
Atomes is a tool box to analyze (physico-chemical properties calculations),
visualize (atoms, bonds, colormaps, measurements, coordination polyedra ...)
create (crystal builder, molecular library, surface creation and
passivation ...) 3D atomistic models.
Atomes offers a workspace capable of handling many projects opened
simultaneously.
The different projects in the workspace can exchange data: analysis results,
atomic coordinates...
Atomes also provides an advanced input preparation system for further
calculations using well known molecular dynamics codes:
Classical MD: DLPOLY and LAMMPS
- ab-initio MD: CPMD and CP2K
- QM-MM MD: CPMD and CP2K
To prepare the input files for these calculations is likely to be the key, and
most complicated step towards MD simulations.
Atomes offers a user-friendly assistant to help and guide the scientist step
by step to achieve this crucial step.
.
This package provides the binaries.
Homepage: https://atomes.ipcms.fr/
Installed-Size: '3054'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: atomes
Priority: optional
Section: science
Version: 1.1.15-1
srcpkg_name: atomes
srcpkg_version: 1.1.15-1