average_kp_matrices_wrapper Subroutine

public subroutine average_kp_matrices_wrapper(config_label, nrepeats, overlap_mats, hamil_mats, overlap_mean, hamil_mean, overlap_se, hamil_se)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: config_label
integer, intent(in) :: nrepeats
real(kind=dp), intent(in) :: overlap_mats(:,:,:)
real(kind=dp), intent(in) :: hamil_mats(:,:,:)
real(kind=dp), intent(out) :: overlap_mean(:,:)
real(kind=dp), intent(out) :: hamil_mean(:,:)
real(kind=dp), intent(out) :: overlap_se(:,:)
real(kind=dp), intent(out) :: hamil_se(:,:)

Contents


Source Code

    subroutine average_kp_matrices_wrapper(config_label, nrepeats, overlap_mats, hamil_mats, &
                                           overlap_mean, hamil_mean, overlap_se, hamil_se)

        integer, intent(in) :: config_label, nrepeats
        real(dp), intent(in) :: overlap_mats(:, :, :), hamil_mats(:, :, :)
        real(dp), intent(out) :: overlap_mean(:, :), hamil_mean(:, :)
        real(dp), intent(out) :: overlap_se(:, :), hamil_se(:, :)

        call average_kp_matrices(nrepeats, hamil_mats, hamil_mean, hamil_se)
        call average_kp_matrices(nrepeats, overlap_mats, overlap_mean, overlap_se)
        if (tOutputAverageKPMatrices) then
            call output_average_kp_matrix(config_label, nrepeats, 'av_hamil  ', hamil_mean, hamil_se)
            call output_average_kp_matrix(config_label, nrepeats, 'av_overlap', overlap_mean, overlap_se)
        end if

    end subroutine average_kp_matrices_wrapper