pyscfad.ml.xtb.kxtb_pad.GFN1KXTB.get_hcore

GFN1KXTB.get_hcore(cell=None, s1e=None, kpts=None)

Parameters:

• cell (CellPad | None)

• s1e (ArrayLike | None)

• kpts (ArrayLike | None)

Return type:

Array