forte2.scf.uhf#
Module Contents#
- class forte2.scf.uhf.UHF#
Bases:
forte2.scf.scf_base.SCFBaseA class that runs unrestricted Hartree-Fock calculations.
- Parameters:
- msfloat
Spin projection. Must be a multiple of 0.5.
- guess_mixbool, optional, default=False
If True, will mix the HOMO and LUMO orbitals to try to break alpha-beta degeneracy if ms is 0.0.
- ms: float = None#
- guess_mix: bool = False#