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1. moha moha Public

   MOHA: MOlecular HAmiltonian

   Python 14 4

2. pyscf-dfrt pyscf-dfrt Public

   Forked from pyscf/extension-template

   PySCF extension module for density functional reactivity theory.

   Python 5 1

3. gaint gaint Public

   Evaluation of Gaussian Molecular Integrals

   Jupyter Notebook 8 1

4. pointgroup pointgroup Public

   A python package for point group symmetry.

   Python 2

5. pyscf-ofdft pyscf-ofdft Public

   PySCF extension module for orbital free DFT.

6. moview moview Public

   Molecular view

   Python 1