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atomes is a Free (Open Source) cross-platform software licensed under the terms
of the Affero GPL v3+ license.
atomes is a toolbox developed to analyze, to visualize and to create/edit 3D atomic scale models.
atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes:
- Classical MD : DL-POLY and LAMMPS
- ab-initio MD : CPMD and CP2K
- QM-MM MD : CPMD and CP2K
atomes is developed by Dr. Sébastien Le Roux, research engineer for the CNRS
Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg.
Features
- Analysis of 3D atomic scale models: neutrons and x-rays diffraction, ring statistics, chain statistics, bond order, MSD ...
- Visualization: measures, coordination polyhedras, advanced coloring, advanced design
- Edition: molecular library, crystal builder, cell edition, surface creation and passivation ...
- MD input preparation: Classical MD: DLPOLY and LAMMPS, ab-initio MD: CPMD and CP2K, QM-MM MD: CPMD and CP2K
Project Samples
License
Affero GNU Public LicenseFollow atomes
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