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  1. VASP VASP Public

    Forked from raman-sc/VASP

    Python program to evaluate off-resonance Raman activity using VASP code as the backend.

    Python

  2. ford ford Public

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    Automatically generates FORtran Documentation from comments within the code.

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  3. basis_set_exchange basis_set_exchange Public

    Forked from MolSSI-BSE/basis_set_exchange

    A repository for quantum chemistry basis sets

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  4. basis_set_exchange-xmlconvert basis_set_exchange-xmlconvert Public

    Forked from MolSSI-BSE/basis_set_exchange-xmlconvert

    Conversion from BSE XML to new JSON format

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  5. pymatgen pymatgen Public

    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…

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  6. VASP_BOND_FIX VASP_BOND_FIX Public

    Forked from Chengcheng-Xiao/VASP_BOND_FIX

    Fixing bond length in relaxation process for VASP