pyscfad.ml.pbc.scf.khf_pad.KSCF

class pyscfad.ml.pbc.scf.khf_pad.KSCF(cell, kpts=None, **kwargs)

Bases: KSCF

Methods

mo_mask([mo_energy, mo_coeff])

MO masks.

Parameters:

• cell (Cell)

• kpts (ArrayLike | None)