pyscfad.ml.gto.basis_array.aoslice_by_atom#
- pyscfad.ml.gto.basis_array.aoslice_by_atom(basis, natm, ao_loc=None, cart=False)[source]#
- Parameters:
basis (BasisArray)
natm (int)
ao_loc (numpy.ndarray | None)
cart (bool)
- Return type:
basis (BasisArray)
natm (int)
ao_loc (numpy.ndarray | None)
cart (bool)