Package API =========== Top-Level Package ----------------- .. automodule:: q2m3 Primary Exports --------------- * :class:`q2m3.QuantumQMMM` * :class:`q2m3.QPEEngine` * :class:`q2m3.QMMMSystem` * :class:`q2m3.PySCFPennyLaneConverter` * :class:`q2m3.UnifiedDensityMatrix` * :class:`q2m3.MoleculeConfig` * :func:`q2m3.load_xyz` * :func:`q2m3.save_json_results` Constants --------- .. automodule:: q2m3.constants :members: Molecule Configuration ---------------------- .. automodule:: q2m3.molecule :members: :show-inheritance: