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Popular repositories

  1. JARVIS-FF

    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…

    Python 2 1

  2. GASP-python

    Forked from henniggroup/GASP-python

    Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

    Python

  3. jarvis

    Forked from usnistgov/jarvis

    Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated framework for computational science using density functional theory, classical force-field/molecular dynamics…

    Jupyter Notebook 1

  4. MDCS-api-tools

    Forked from MDCS-community/MDCS-api-tools

    Python

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January 2019

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