atomes
An atomistic toolbox
atomes: a toolbox to analyze, to visualize and to create/edit 3D atomic scale models. The software interface offers a workspace that allows to open many projects 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.
Releases Overview
| Release | Stable | Testing |
|---|---|---|
| Fedora Rawhide | 1.3.2-1.fc46 | - |
| Fedora 45 | 1.3.1-5.fc45 | 1.3.2-1.fc45 |
| Fedora 44 | 1.3.1-2.fc44 | 1.3.2-1.fc44 |
| Fedora 43 | 1.3.1-2.fc43 | 1.3.2-1.fc43 |
Package Info
- Upstream: https://atomes.ipcms.fr/
- License(s): AGPL-3.0-or-later
- Maintainers: slook, alexpl
You can contact the maintainers of this package via email at
atomes dash maintainers at fedoraproject dot org.
Sources on Pagure