core_space_weight Function

public pure function core_space_weight(sign_curr, run) result(sign_curr_real)

Weight function for picking the most populated states. Trivial in single run mode, but multiple options exist in mneci

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: sign_curr(lenof_sign)
integer, intent(in) :: run

Return Value real(kind=dp)


Source Code

    pure function core_space_weight(sign_curr, run) result(sign_curr_real)
        real(dp), intent(in) :: sign_curr(lenof_sign)
        integer, intent(in) :: run
        real(dp) :: sign_curr_real
#ifdef CMPLX_
        sign_curr_real = sqrt(sum(abs(sign_curr(1::2)))**2 + sum(abs(sign_curr(2::2)))**2)
        unused_var(run)
#else
        if (tSignedRepAv) then
            sign_curr_real = real(abs(sum(sign_curr)), dp)
        else
            if (run == GLOBAL_RUN) then
                sign_curr_real = real(sum(abs(sign_curr)), dp)
            else
                sign_curr_real = mag_of_run(sign_curr, run)
            end if
        end if
#endif

    end function core_space_weight