8000 wtpeter (Tai Wang) · GitHub
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Achievement: Pull Sharkx2

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  1. NonDFT/NEST NonDFT/NEST Public

    Noncollinear Electronic Structure Theory

    Python 16 5

  2. gpu4pyscf gpu4pyscf Public

    Forked from pyscf/gpu4pyscf

    A plugin to use Nvidia GPU in PySCF package

    Cuda

  3. CCSD-with-Equations-and-Code CCSD-with-Equations-and-Code Public

    A complete implementation of the CCSD method with equations and Python code.

    Jupyter Notebook 2

  4. pyscf/pyscf pyscf/pyscf Public

    Python module for quantum chemistry

    Python 1.7k 774

0