pyscfad.ml.xtb.kxtb_pad.GFN1KXTB.get_init_guess

GFN1KXTB.get_init_guess(cell=None, key='refocc', s1e=None)

Parameters:

• cell (CellPad | None)

• key (str)

• s1e (ArrayLike | None)

Return type:

Array