xmolecule_get_occ Subroutine

public subroutine xmolecule_get_occ(xdata_cptr, occ, l_occ) bind(c)

returns occupation numbers

Arguments

Type IntentOptional Attributes Name
type(c_ptr), intent(inout) :: xdata_cptr
integer(kind=c_int), intent(inout) :: occ(l_occ)
integer(kind=c_int), intent(inout) :: l_occ