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  1. dftbplus dftbplus Public

    Forked from dftbplus/dftbplus

    DFTB+ general package for performing fast atomistic simulations

    Fortran

  2. GAMMPS GAMMPS Public

    Forked from HMakkiMD/GAMMPS

    GAMMPS offers a collection of Python modules tailored for the precise computation of electronic structure properties derived from chemical drawings of semiconducting polymers.

    Python