dominant_subshell_mo Subroutine

public subroutine dominant_subshell_mo(b, lc, max_atom, max_n, max_l, max_popnl)

for a given MO return the dominant atomic subshell

Arguments

Type IntentOptional Attributes Name
type(basis), intent(in) :: b
real(kind=long), intent(in) :: lc(:)
integer, intent(out) :: max_atom
integer, intent(out) :: max_n
integer, intent(out) :: max_l
real(kind=long), intent(out) :: max_popnl