write_kpfciqmc_testsuite_data Subroutine

public subroutine write_kpfciqmc_testsuite_data(s_sum, h_sum)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: s_sum
real(kind=dp), intent(in) :: h_sum

Contents


Source Code

    subroutine write_kpfciqmc_testsuite_data(s_sum, h_sum)

        ! Write out information about the completed KP-FCIQMC calculation, for
        ! use in the testsuite.

        real(dp), intent(in) :: s_sum, h_sum

        write(stdout, '(/,1X,64("="))')
        write(stdout, '(1X,"KP-FCIQMC testsuite data:")')
        write(stdout, '(1X,"Sum of overlap matrix elements:",12X,es20.13)') s_sum
        write(stdout, '(1X,"Sum of H elements:",25X,es20.13)') h_sum
        write(stdout, '(1X,64("="))')

    end subroutine write_kpfciqmc_testsuite_data