xmolecule_get_nao_conf Subroutine

public subroutine xmolecule_get_nao_conf(xdata_cptr, nao_conf_string, l_atom) bind(c)

returns numerical atomic orbital configuration string

Arguments

Type IntentOptional Attributes Name
type(c_ptr), intent(inout) :: xdata_cptr
character(len=c_char), intent(inout) :: nao_conf_string(l_atom*512)
integer(kind=c_int), intent(in) :: l_atom