| ID | 51767 | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Package Name | atomes | |||||||||||||
| Version | 1.1.11 | |||||||||||||
| Release | 8.fc38 | |||||||||||||
| Epoch | Draft | False | ||||||||||||
| Source | git+https://src.fedoraproject.org/rpms/atomes.git#3b7fcfcde1da64725df73366b14bdd61c1158584 | |||||||||||||
| Summary | An atomistic toolbox | |||||||||||||
| Description | Atomes: a toolbox to analyze, to visualize and to create/edit 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 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. | |||||||||||||
| Built by | zhangwenyu | |||||||||||||
| State | complete | |||||||||||||
| Volume | DEFAULT | |||||||||||||
| Started | Thu, 06 Jul 2023 16:18:51 CST | |||||||||||||
| Completed | Thu, 06 Jul 2023 17:08:21 CST | |||||||||||||
| Task | build (f38-build-side-42-init-devel, /rpms/atomes.git:3b7fcfcde1da64725df73366b14bdd61c1158584) | |||||||||||||
| Extra | {'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/atomes.git#3b7fcfcde1da64725df73366b14bdd61c1158584'}} | |||||||||||||
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| Changelog | * Fri Apr 14 2023 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.11-8 - Initial Fedora commit |