Package: atomes-data
Source: atomes
Version: 1.3.1-1
Architecture: all
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Original-Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 7098
Suggests: atomes
Enhances: atomes
Section: science
Priority: optional
Multi-Arch: foreign
Homepage: https://atomes.ipcms.fr/
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 atomic scale 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.
