xmolecule_get_ao_labels Subroutine

public subroutine xmolecule_get_ao_labels(xdata_cptr, ao_labels, l_ao) bind(c)

return atomic orbital labels

Arguments

Type IntentOptional Attributes Name
type(c_ptr), intent(inout) :: xdata_cptr
character(len=c_char), intent(inout) :: ao_labels(l_ao*10)
integer(kind=c_int), intent(inout) :: l_ao