Module qsym2::interfaces::qchem

QSym² interfaces with Q-Chem.

Structs

• QChemArchiveSlaterDeterminantSource
  A serialisable/deserialisable structure containing control parameters for acquiring Slater determinant(s) from a Q-Chem archive file.
• QChemArchiveVibrationalCoordinateSource
  A serialisable/deserialisable structure containing control parameters for acquiring vibrational coordinate(s) from a Q-Chem archive file.