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theorychemyang

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  1. pyscf pyscf Public

    Forked from pyscf/pyscf

    Python module for quantum chemistry

    Python 2 8

  2. PySCF-PCI PySCF-PCI Public

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  3. libcint libcint Public

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    general GTO integrals for quantum chemistry

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  4. Excited-state-CMES Excited-state-CMES Public

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  5. cp2k cp2k Public

    Forked from zc62/cp2k

    Quantum chemistry and solid state physics software package

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  6. gromacs gromacs Public

    Forked from xzhao287/gromacs

    Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

    C++

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