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Pinned Loading

  1. cluster-setup-logs cluster-setup-logs Public

    Shell

  2. electron-integral-playground electron-integral-playground Public

    C++

  3. PBCNonOrbital PBCNonOrbital Public

    Forked from mtzgroup/PBCNonOrbital

    Energies and derivatives for nuclear repulsion and Becke weight with PBCs

    C++

  4. ydk_processor ydk_processor Public

    Python

  5. pyscf/pyscf pyscf/pyscf Public

    Python module for quantum chemistry

    Python 1.5k 651

  6. pyscf/gpu4pyscf pyscf/gpu4pyscf Public

    A plugin to use Nvidia GPU in PySCF package

    Cuda 242 45