getSpatialOccupation Function

public pure function getSpatialOccupation(ilut, s) result(nOcc)

Arguments

Type IntentOptional Attributes Name
integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_orb)
integer, intent(in) :: s

Return Value real(kind=dp)


Source Code

    pure function getSpatialOccupation(iLut, s) result(nOcc)
        integer(n_int), intent(in) :: ilut(0:GugaBits%len_orb)
        integer, intent(in) :: s
        real(dp) :: nOcc

        if (isZero(ilut, s)) then
            nOcc = 0.0_dp
        else if (isThree(ilut, s)) then
            nOcc = 2.0_dp
        else
            nOcc = 1.0_dp
        end if
    end function getSpatialOccupation