ManyBodyCalculator

class qcmanybody.ManyBodyCalculator(molecule, bsse_type, levels, return_total_data, supersystem_ie_only, embedding_charges)[source]

Bases: ManyBodyCore

Parameters:
  • molecule (Molecule)

  • bsse_type (Sequence[BsseEnum])

  • levels (Mapping[Union[int, Literal['supersystem']], str])

  • return_total_data (bool)

  • supersystem_ie_only (bool)

  • embedding_charges (Mapping[int, Sequence[float]])