Interfaces

PyOpenCAP officially supports interfaces with the OpenMolcas and PySCF software packages. For Q-Chem developers, we have also developed an interface with the EOM-CCSD methods in Q-Chem. Please contact us directly by writing to gayverjr@bu.edu if you are interested in using OpenCAP in tandem with Q-Chem.

• OpenMolcas
• PySCF