pyscfad.scf.hf_lite.get_occ#

pyscfad.scf.hf_lite.get_occ(mf, mo_energy=None, mo_coeff=None)[source]#

Get MO occupations.

Parameters:

  • mf (SCF)

  • mo_energy (ArrayLike | None)

  • mo_coeff (ArrayLike | None)

Return type:

Array