occ_space Function

public pure function occ_space(f, mo) result(n)

returns 0 for unoccupied MO 1 for singly occupied MO 2 for doubly occupied MO 2+i for orbital in average_occ_MO subspace i=1,...n if the orbitals are partially occupied

Arguments

Type IntentOptional Attributes Name
type(wf_data), intent(in) :: f
integer, intent(in) :: mo

Return Value integer