get_sign_op Function

private function get_sign_op(ilut) result(xi)


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

Return Value real(kind=dp)


Source Code

Source Code

    function get_sign_op(ilut) result(xi)
        ! compute the sign problem indicator xi for a given determinant
        implicit none
        integer(n_int), intent(in) :: ilut(0:NIfTot)
        real(dp) :: xi
        integer :: iRef, nI(nel), exLevel
        real(dp) :: unsignedCache
        HElement_t(dp) :: signedCache
#ifdef DEBUG_
        character(*), parameter :: this_routine = "get_sign_op_run"
        integer :: connections
        ASSERT(.not. t_3_body_excits)

        call initialize_c_caches(signedCache, unsignedCache, connections)
        ! Sum up all Hij cj for all superinitiators j
        do iRef = 1, nRefs
            exLevel = FindBitExcitLevel(ilutRefAdi(:, iRef), ilut)
            ! Of course, only singles/doubles of ilut can contribute
            if (exLevel < 3) then
                call decode_bit_det(nI, ilut)
                call update_coherence_check(ilut, nI, iRef, &
                                            signedCache, unsignedCache, connections)
            end if
        end do
        ! Get the ratio of the caches, which is xi
        if (abs(unsignedCache) > eps .and. connections >= minSIConnect) then
            xi = abs(signedCache) / unsignedCache
            xi = 0.0_dp
        end if
    end function get_sign_op