apply_excit_ops Function

private function apply_excit_ops(ilut_in, elecs, orbs) result(ilut_out)

Arguments

Type IntentOptional Attributes Name
integer(kind=n_int), intent(in) :: ilut_in(0:nifd)
integer, intent(in) :: elecs(:)
integer, intent(in) :: orbs(:)

Return Value integer(kind=n_int), (0:nifd)


Contents

Source Code

apply_excit_ops

Source Code

    function apply_excit_ops(ilut_in, elecs, orbs) result(ilut_out)
        integer(n_int), intent(in) :: ilut_in(0:nifd)
        integer, intent(in) :: elecs(:), orbs(:)
        integer(n_int) :: ilut_out(0:nifd)

        integer :: i

        ilut_out = ilut_in

        do i = 1, size(elecs)
            associate(j => elecs(i), k => orbs(i))
                clr_orb(ilut_out, j)
                set_orb(ilut_out, k)
            end associate
        end do

    end function apply_excit_ops