pyscfad.xtb.kxtb.KXTB.shell_charges

KXTB.shell_charges(cell=None, dm=None, s1e=None, method='mulliken')

Parameters:

• cell (Cell | None)

• dm (Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray | None)

• s1e (Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray | None)

• method (str)

Return type:

Array