jonas-greiner

Pinned Repositories

• decodense

  decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations

  Language:Python00

• pyscf

  Python module for quantum chemistry

  Language:Python00

• pyscfad

  PySCF with auto-differentiation

  Language:C00

• pyscf

  Python module for quantum chemistry

  Language:Python1.2k582

• pyscfad

  PySCF with auto-differentiation

  Language:C6815

• decodense

  decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations

  Language:Python107

• symlo

  Code for the symmetrization of localized orbitals

  Language:Python10

• pymbe

  PyMBE: A Many-Body Expanded Correlation Code

  Language:Python00

jonas-greiner's Repositories