forte2.scf.cuhf =============== .. py:module:: forte2.scf.cuhf Module Contents --------------- .. py:class:: CUHF Bases: :py:obj:`forte2.scf.scf_base.SCFBase` A class that runs constrained unrestricted Hartree-Fock calculations. Equivalent to ROHF but uses UHF machinery. See J. Chem. Phys. 133, 141102 (2010) (10.1063/1.3503173) :Parameters: **ms** : float Spin projection. Must be a multiple of 0.5. **guess_mix** : bool, optional, default=False If True, will mix the HOMO and LUMO orbitals to try to break alpha-beta degeneracy if ms is 0.0. .. !! processed by numpydoc !! .. py:attribute:: ms :type: float :value: None .. py:attribute:: guess_mix :type: bool :value: False