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Move diff tallies from MeV to eV

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This commit is contained in:
Sterling Harper 2016-11-03 17:21:12 -04:00
parent 902286a674
commit c10859ae02
4 changed files with 45 additions and 55 deletions
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28
src/cross_section.F90
View file

@ -712,15 +712,14 @@ contains
! temperature.
!===============================================================================
subroutine multipole_deriv_eval(multipole, Emev, sqrtkT_, sigT, sigA, sigF)
subroutine multipole_deriv_eval(multipole, E, sqrtkT, sigT, sigA, sigF)
type(MultipoleArray), intent(in) :: multipole ! The windowed multipole
! object to process.
real(8), intent(in) :: Emev ! The energy at which to
real(8), intent(in) :: E ! The energy at which to
! evaluate the cross section
! in MeV
real(8), intent(in) :: sqrtkT_ ! The temperature in the form
! sqrt(kT (in MeV)), at which
! to evaluate the XS.
real(8), intent(in) :: sqrtkT ! The temperature in the form
! sqrt(kT), at which to
! evaluate the XS.
real(8), intent(out) :: sigT ! Total cross section
real(8), intent(out) :: sigA ! Absorption cross section
real(8), intent(out) :: sigF ! Fission cross section
@ -730,8 +729,6 @@ contains
real(8) :: sqrtE ! sqrt(E), eV
real(8) :: invE ! 1/E, eV
real(8) :: dopp ! sqrt(atomic weight ratio / kT)
real(8) :: E ! energy, eV
real(8) :: sqrtkT ! sqrt(kT (in eV))
integer :: i_pole ! index of pole
integer :: i_window ! index of window
integer :: startw ! window start pointer (for poles)
@ -741,15 +738,11 @@ contains
! ==========================================================================
! Bookkeeping
! Convert to eV.
E = Emev * 1.0e6_8
sqrtkT = sqrtkT_ * 1.0e3_8
! Define some frequently used variables.
sqrtE = sqrt(E)
invE = ONE / E
dopp = multipole % sqrtAWR / sqrtkT
T = sqrtkT_**2 / K_BOLTZMANN
T = sqrtkT**2 / K_BOLTZMANN
if (sqrtkT == ZERO) call fatal_error("Windowed multipole temperature &
&derivatives are not implemented for 0 Kelvin cross sections.")
@ -795,12 +788,9 @@ contains
sigF = sigF + real(multipole % data(RM_RF, i_pole) * w_val)
end if
end do
sigT = -HALF*multipole % sqrtAWR / sqrt(K_BOLTZMANN*1.0e6_8) * T**(-1.5)&
* sigT
sigA = -HALF*multipole % sqrtAWR / sqrt(K_BOLTZMANN*1.0e6_8) * T**(-1.5)&
* sigA
sigF = -HALF*multipole % sqrtAWR / sqrt(K_BOLTZMANN*1.0e6_8) * T**(-1.5)&
* sigF
sigT = -HALF*multipole % sqrtAWR / sqrt(K_BOLTZMANN) * T**(-1.5) * sigT
sigA = -HALF*multipole % sqrtAWR / sqrt(K_BOLTZMANN) * T**(-1.5) * sigA
sigF = -HALF*multipole % sqrtAWR / sqrt(K_BOLTZMANN) * T**(-1.5) * sigF
end if
end subroutine multipole_deriv_eval

68
src/tally.F90
View file

@ -2984,8 +2984,8 @@ contains
dsigT = ZERO
associate (nuc => nuclides(p % event_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3011,8 +3011,8 @@ contains
dsigA = ZERO
associate (nuc => nuclides(p % event_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3037,8 +3037,8 @@ contains
dsigA = ZERO
associate (nuc => nuclides(p % event_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3062,8 +3062,8 @@ contains
dsigF = ZERO
associate (nuc => nuclides(p % event_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3087,8 +3087,8 @@ contains
dsigF = ZERO
associate (nuc => nuclides(p % event_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3123,8 +3123,8 @@ contains
do l = 1, mat % n_nuclides
associate (nuc => nuclides(mat % nuclide(l)))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8 .and. &
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E .and. &
micro_xs(mat % nuclide(l)) % total > ZERO) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
@ -3140,8 +3140,8 @@ contains
dsigT = ZERO
associate (nuc => nuclides(i_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3161,8 +3161,8 @@ contains
do l = 1, mat % n_nuclides
associate (nuc => nuclides(mat % nuclide(l)))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8 .and. &
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E .and. &
(micro_xs(mat % nuclide(l)) % total &
- micro_xs(mat % nuclide(l)) % absorption) > ZERO) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
@ -3182,8 +3182,8 @@ contains
dsigA = ZERO
associate (nuc => nuclides(i_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3204,8 +3204,8 @@ contains
do l = 1, mat % n_nuclides
associate (nuc => nuclides(mat % nuclide(l)))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8 .and. &
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E .and. &
micro_xs(mat % nuclide(l)) % absorption > ZERO) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
@ -3221,8 +3221,8 @@ contains
dsigA = ZERO
associate (nuc => nuclides(i_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3242,8 +3242,8 @@ contains
do l = 1, mat % n_nuclides
associate (nuc => nuclides(mat % nuclide(l)))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8 .and. &
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E .and. &
micro_xs(mat % nuclide(l)) % fission > ZERO) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
@ -3259,8 +3259,8 @@ contains
dsigF = ZERO
associate (nuc => nuclides(i_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3280,8 +3280,8 @@ contains
do l = 1, mat % n_nuclides
associate (nuc => nuclides(mat % nuclide(l)))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8 .and. &
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E .and. &
micro_xs(mat % nuclide(l)) % nu_fission > ZERO) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
@ -3299,8 +3299,8 @@ contains
dsigF = ZERO
associate (nuc => nuclides(i_nuclide))
if (nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
end if
@ -3371,8 +3371,8 @@ contains
do l=1, mat % n_nuclides
associate (nuc => nuclides(mat % nuclide(l)))
if (nuc % mp_present .and. &
p % E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % E <= nuc % multipole % end_E/1.0e6_8) then
p % E >= nuc % multipole % start_E .and. &
p % E <= nuc % multipole % end_E) then
call multipole_deriv_eval(nuc % multipole, p % E, &
p % sqrtkT, dsigT, dsigA, dsigF)
deriv % flux_deriv = deriv % flux_deriv &
@ -3444,8 +3444,8 @@ contains
associate (nuc => nuclides(mat % nuclide(l)))
if (mat % nuclide(l) == p % event_nuclide .and. &
nuc % mp_present .and. &
p % last_E >= nuc % multipole % start_E/1.0e6_8 .and. &
p % last_E <= nuc % multipole % end_E/1.0e6_8) then
p % last_E >= nuc % multipole % start_E .and. &
p % last_E <= nuc % multipole % end_E) then
! phi = Sigma_MT
! (1 / phi) * (d_phi / d_T) = (d_Sigma_MT / d_T) / Sigma_MT
! (1 / phi) * (d_phi / d_T) = (d_sigma_MT / d_T) / sigma_MT

2
tests/test_diff_tally/inputs_true.dat
View file

@ -1 +1 @@
58a47bc1cce52a90cb7d0ed5e8143fe0ac2a3208fb7b4c050647ab2c2f3486272250138b7e548b2bee912085b4a70d818833760e1f90e9ad6aa713caa12473bf
be155010540ca076356596aef8511edd58c91772a5e956e5af77437a39ce3d238b91b57df30c2d599fc6e01c887bf73897ee8ed91425c2d475d97202689c2b88

2
tests/test_diff_tally/test_diff_tally.py
View file

@ -30,7 +30,7 @@ class DiffTallyTestHarness(PyAPITestHarness):
self._input_set.tallies = openmc.Tallies()
filt_mats = openmc.MaterialFilter((1, 3))
filt_eout = openmc.EnergyoutFilter((0.0, 1.0, 20.0))
filt_eout = openmc.EnergyoutFilter((0.0, 1.0e6, 20.0e6))
# We want density derivatives for both water and fuel to get coverage
# for both fissile and non-fissile materials.