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  1. MDLAB MDLAB Public

    Molecular Dynamics Post-Processing Suits

    Python 2

  2. calcuator calcuator Public

    it will calculate the partial dos

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  3. Group-Theory Group-Theory Public

    This is an Utility to compute the group theory of various phonon mode at different q point in the Brillouin zone.

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    test

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  5. flare flare Public

    Forked from mir-group/flare

    An open-source Python package for creating fast and accurate atomistic potentials.

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  6. MDLABPY MDLABPY Public

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