Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
real(kind=dp), | intent(in) | :: | s_sum | |||
real(kind=dp), | intent(in) | :: | h_sum |
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