deb_control_files:
- control
- md5sums
deb_fields:
Architecture: all
Description: |-
atomic-scale 3D modeling toolbox (data)
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 contains data files for atomes.
Enhances: atomes
Homepage: https://atomes.ipcms.fr/
Installed-Size: '7101'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Multi-Arch: foreign
Package: atomes-data
Priority: optional
Section: science
Source: atomes
Suggests: atomes
Version: 1.1.15-1
srcpkg_name: atomes
srcpkg_version: 1.1.15-1