pyscfad.scf.hf_lite.SCFLite.mo_mask

SCFLite.mo_mask(mo_energy=None, mo_coeff=None)

MO masks.

Useful for e.g. padding, where there are fake MOs.

Returns:

Mask array where elements with True values indicate real MOs.

Return type:

mask

Parameters:

• mo_energy (ArrayLike | None)

• mo_coeff (ArrayLike | None)