calcOcc_vector_ilut Function

public pure function calcOcc_vector_ilut(ilut) result(occVector)

Arguments

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

Return Value real(kind=dp), (nSpatOrbs)


Contents

Source Code

calcOcc_vector_ilut

Source Code

    pure function calcOcc_vector_ilut(ilut) result(occVector)
        ! probably more efficiently implemented by simon already...
        ! but for now do it in this stupid way todo -> ask simon
        integer(n_int), intent(in) :: ilut(0:GugaBits%len_orb)
        real(dp) :: occVector(nSpatOrbs)

        integer :: iOrb

        do iOrb = 1, nSpatOrbs
            occVector(iOrb) = getSpatialOccupation(ilut, iOrb)
        end do

    end function calcOcc_vector_ilut