Atomes: a toolbox to analyze, to visualize and to edit/create three-dimensional atomistic models. It oﬀers a workspace that allows to have 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][dlpoly] and [LAMMPS][lammps] ab-initio MD : [CPMD][cpmd] and [CP2K][cp2k] QM-MM MD : [CPMD][cpmd] and [CP2K][cp2k]
To prepare the input ﬁlles 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.
The project can be installed from sources, using custom builds, customs rpms or deb.
To report a bug: https://github.com/Slookeur/Atomes/issues/new/choose
The following unofficial repositories are provided as-is by owner of this project. Contact the owner directly for bugs or issues (IE: not bugzilla).
* Total number of packages downloaded in the last seven days.
This is a companion discussion topic for the original entry at https://copr.fedorainfracloud.org/coprs/slook/Atomes/