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Analysis, visualization, edition of 3D atomistic models
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...
Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.