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This project contains the data for evaluation of interatomic potentials/force-fields (used in Moecular-dynamics and Monte-carlo simulations). LAMMPS calculation were done using MPinterface code (ht…
Forked from JARVIS-Materials-Design/jarvis-tools-notebooks
Forked from henniggroup/GASP-python
Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
Forked from MDCS-community/MDCS-api-tools
Forked from materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
Forked from Materials-Consortia/optimade-python-tools
Tools for implementing and consuming OPTIMADE APIs in Python
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