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  1. pyscf_TDDFT_ris Public

    efficient TDDFT-ris based on MOKIT and PySCF

    Python 16 3

  2. ris-precond-Davidson Public

    davidson method with various preconditioners

    Python 2

  3. gpu4pyscf Public

    Forked from pyscf/gpu4pyscf

    A plugin to use Nvidia GPU in PySCF package::ris-GPU

    Cuda