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 1.6k 705

6. pyscf/gpu4pyscf pyscf/gpu4pyscf Public

   A plugin to use Nvidia GPU in PySCF package

   Cuda 318 66