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Address #746 comments

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This commit is contained in:
Sterling Harper 2016-11-13 13:49:30 -05:00
parent 6a9ca62d35
commit 2573fba5fa
9 changed files with 338 additions and 274 deletions
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2
docs/source/usersguide/input.rst
View file

@ -1973,7 +1973,7 @@ the following attributes/sub-elements:
density of a particular nuclide in units of [atom / b / cm]. A
"temperature" derivative is with respect to a material temperature in units
of [K]. The temperature derivative requires windowed multipole to be
turned on. Note also that the temperature derivative only acconuts for
turned on. Note also that the temperature derivative only accounts for
resolved resonance Doppler broadening. It does not account for thermal
expansion, S(a, b) scattering, resonance scattering, or unresolved Doppler
broadening.

4
openmc/statepoint.py
View file

@ -479,7 +479,7 @@ class StatePoint(object):
if 'derivatives' in self._f['tallies']:
# Read the derivative ids.
base = 'tallies/derivatives'
deriv_ids = [int(k.split(' ')[1]) for k in self._f[base].keys()]
deriv_ids = [int(k.split(' ')[1]) for k in self._f[base]]
# Create each derivative object and add it to the dictionary.
for d_id in deriv_ids:
@ -497,7 +497,7 @@ class StatePoint(object):
deriv.material = self._f[base + '/material'].value
else:
raise RuntimeError('Unrecognized tally differential '
'variable')
'variable')
self._derivs[d_id] = deriv
self._derivs_read = True

6
openmc/tallies.py
View file

@ -103,7 +103,7 @@ class Tally(object):
sparse : bool
Whether or not the tally uses SciPy's LIL sparse matrix format for
compressed data storage
derivative : openmc.tally_derivative.TallyDerivative
derivative : openmc.TallyDerivative
A material perturbation derivative to apply to all scores in the tally.
"""
@ -453,7 +453,7 @@ class Tally(object):
def derivative(self, deriv):
if deriv is not None:
cv.check_type('tally derivative', deriv, openmc.TallyDerivative)
self._derivative = deriv
self._derivative = deriv
@filters.setter
def filters(self, filters):
@ -3608,7 +3608,7 @@ class Tallies(cv.CheckedList):
# Add the derivatives to the XML tree.
for d in derivs:
self._tallies_file.append(d.get_derivative_xml())
self._tallies_file.append(d.to_xml_element())
def export_to_xml(self):
"""Create a tallies.xml file that can be used for a simulation.

77
openmc/tally_derivative.py
View file

@ -7,6 +7,7 @@ from xml.etree import ElementTree as ET
from six import string_types
import openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
# "Static" variable for auto-generated TallyDerivative IDs
@ -17,7 +18,7 @@ def reset_auto_tally_deriv_id():
AUTO_TALLY_DERIV_ID = 10000
class TallyDerivative(object):
class TallyDerivative(EqualityMixin):
"""A material perturbation derivative to apply to a tally.
Parameters
@ -25,6 +26,13 @@ class TallyDerivative(object):
derivative_id : Integral, optional
Unique identifier for the tally derivative. If none is specified, an
identifier will automatically be assigned
variable : str, optional
Accepted values are 'density', 'nuclide_density', and 'temperature'
material : Integral, optional
The perturubed material ID
nuclide : str, optional
The perturbed nuclide. Only needed for 'nuclide_density' derivatives.
Ex: 'Xe135'
Attributes
----------
@ -33,71 +41,36 @@ class TallyDerivative(object):
variable : str
Accepted values are 'density', 'nuclide_density', and 'temperature'
material : Integral
The perturubed material
The perturubed material ID
nuclide : str
The perturbed nuclide. Only needed for 'nuclide_density' derivatives.
Ex: 'Xe-135'
Ex: 'Xe135'
"""
def __init__(self, derivative_id=None):
def __init__(self, derivative_id=None, variable=None, material=None,
nuclide=None):
# Initialize Tally class attributes
self.id = derivative_id
self._variable = None
self._material = None
self._nuclide = None
def __deepcopy__(self, memo):
existing = memo.get(id(self))
# If this is the first time we have tried to copy this object, create a
# copy
if existing is None:
clone = type(self).__new__(type(self))
clone.id = self.id
clone.variable = self.variable
clone.material = self.material
clone.nuclide = self.nuclide
memo[id(self)] = clone
return clone
# If this object has been copied before, return the first copy made
else:
return existing
def __eq__(self, other):
if not isinstance(other, TallyDerivative):
return False
return (self.variable == other.variable and
self.material == other.material and
self.nuclide == other.nuclide)
def __ne__(self, other):
return not self == other
self.variable = variable
self.material = material
self.nuclide = nuclide
def __hash__(self):
return hash(repr(self))
def __repr__(self):
string = 'Tally Derivative\n'
string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self.id)
string += '{0: <16}{1}{2}\n'.format('\tVariable', '=\t',
self.variable)
string += '{: <16}=\t{}\n'.format('\tID', self.id)
string += '{: <16}=\t{}\n'.format('\tVariable', self.variable)
if self.variable == 'density':
string += '{0: <16}{1}{2}\n'.format('\tMaterial', '=\t',
self.material)
string += '{: <16}=\t{}\n'.format('\tMaterial', self.material)
elif self.variable == 'nuclide_density':
string += '{0: <16}{1}{2}\n'.format('\tMaterial', '=\t',
self.material)
string += '{0: <16}{1}{2}\n'.format('\tNuclide', '=\t',
self.nuclide)
string += '{: <16}=\t{}\n'.format('\tMaterial', self.material)
string += '{: <16}=\t{}\n'.format('\tNuclide', self.nuclide)
elif self.variable == 'temperature':
string += '{0: <16}{1}{2}\n'.format('\tMaterial', '=\t',
self.material)
string += '{: <16}=\t{}\n'.format('\tMaterial', self.material)
return string
@ -133,8 +106,8 @@ class TallyDerivative(object):
def variable(self, var):
if var is not None:
cv.check_type('derivative variable', var, string_types)
cv.check_value('derivative variable', var, ('density',
'nuclide_density', 'temperature'))
cv.check_value('derivative variable', var,
('density', 'nuclide_density', 'temperature'))
self._variable = var
@material.setter
@ -149,7 +122,7 @@ class TallyDerivative(object):
cv.check_type('derivative nuclide', nuc, string_types)
self._nuclide = nuc
def get_derivative_xml(self):
def to_xml_element(self):
"""Return XML representation of the tally derivative
Returns

197
src/tally.F90
View file

@ -3144,21 +3144,47 @@ contains
if (score == ZERO) return
! If our score was previously c then the new score is
! c * (1/f * d_f/d_p + 1/c * d_c/d_p)
! where (1/f * d_f/d_p) is the (logarithmic) flux derivative and p is the
! perturbated variable.
associate(deriv => tally_derivs(t % deriv))
flux_deriv = deriv % flux_deriv
select case (tally_derivs(t % deriv) % variable)
!=========================================================================
! Density derivative:
! c = Sigma_MT
! c = sigma_MT * N
! c = sigma_MT * rho * const
! d_c / d_rho = sigma_MT * const
! (1 / c) * (d_c / d_rho) = 1 / rho
case (DIFF_DENSITY)
select case (t % estimator)
case (ESTIMATOR_ANALOG)
if (materials(p % material) % id == deriv % diff_material) then
score = score * (flux_deriv + ONE &
/ materials(p % material) % density_gpcc)
else
select case (score_bin)
case (SCORE_FLUX)
score = score * flux_deriv
end if
case (SCORE_TOTAL, SCORE_SCATTER, SCORE_ABSORPTION, SCORE_FISSION, &
SCORE_NU_FISSION)
if (materials(p % material) % id == deriv % diff_material) then
score = score * (flux_deriv + ONE &
/ materials(p % material) % density_gpcc)
else
score = score * flux_deriv
end if
case default
call fatal_error('Tally derivative not defined for a score on &
&tally ' // trim(to_str(t % id)))
end select
case (ESTIMATOR_COLLISION)
@ -3167,46 +3193,9 @@ contains
case (SCORE_FLUX)
score = score * flux_deriv
case (SCORE_TOTAL)
if (materials(p % material) % id == deriv % diff_material &
.and. material_xs % total /= ZERO) then
score = score * (flux_deriv + ONE &
/ materials(p % material) % density_gpcc)
else
score = score * flux_deriv
end if
case (SCORE_SCATTER)
if (materials(p % material) % id == deriv % diff_material &
.and. material_xs % total - material_xs % absorption /= ZERO) &
then
score = score * (flux_deriv + ONE &
/ materials(p % material) % density_gpcc)
else
score = score * flux_deriv
end if
case (SCORE_ABSORPTION)
if (materials(p % material) % id == deriv % diff_material &
.and. material_xs % absorption /= ZERO) then
score = score * (flux_deriv + ONE &
/ materials(p % material) % density_gpcc)
else
score = score * flux_deriv
end if
case (SCORE_FISSION)
if (materials(p % material) % id == deriv % diff_material &
.and. material_xs % fission /= ZERO) then
score = score * (flux_deriv + ONE &
/ materials(p % material) % density_gpcc)
else
score = score * flux_deriv
end if
case (SCORE_NU_FISSION)
if (materials(p % material) % id == deriv % diff_material &
.and. material_xs % nu_fission /= ZERO) then
case (SCORE_TOTAL, SCORE_SCATTER, SCORE_ABSORPTION, SCORE_FISSION, &
SCORE_NU_FISSION)
if (materials(p % material) % id == deriv % diff_material) then
score = score * (flux_deriv + ONE &
/ materials(p % material) % density_gpcc)
else
@ -3223,24 +3212,50 @@ contains
&analog and collision estimators.")
end select
!=========================================================================
! Nuclide density derivative:
! If we are scoring a reaction rate for a single nuclide then
! c = Sigma_MT_i
! c = sigma_MT_i * N_i
! d_c / d_N_i = sigma_MT_i
! (1 / c) * (d_c / d_N_i) = 1 / N_i
! If the score is for the total material (i_nuclide = -1)
! c = Sum_i(Sigma_MT_i)
! d_c / d_N_i = sigma_MT_i
! (1 / c) * (d_c / d_N) = sigma_MT_i / Sigma_MT
! where i is the perturbed nuclide.
case (DIFF_NUCLIDE_DENSITY)
select case (t % estimator)
case (ESTIMATOR_ANALOG)
if (materials(p % material) % id == deriv % diff_material &
.and. p % event_nuclide == deriv % diff_nuclide) then
associate(mat => materials(p % material))
! Search for the index of the perturbed nuclide.
do l = 1, mat % n_nuclides
if (mat % nuclide(l) == deriv % diff_nuclide) exit
end do
score = score * (flux_deriv &
+ ONE / mat % atom_density(l))
end associate
else
select case (score_bin)
case (SCORE_FLUX)
score = score * flux_deriv
end if
case (SCORE_TOTAL, SCORE_SCATTER, SCORE_ABSORPTION, SCORE_FISSION, &
SCORE_NU_FISSION)
if (materials(p % material) % id == deriv % diff_material &
.and. p % event_nuclide == deriv % diff_nuclide) then
associate(mat => materials(p % material))
! Search for the index of the perturbed nuclide.
do l = 1, mat % n_nuclides
if (mat % nuclide(l) == deriv % diff_nuclide) exit
end do
score = score * (flux_deriv &
+ ONE / mat % atom_density(l))
end associate
else
score = score * flux_deriv
end if
case default
call fatal_error('Tally derivative not defined for a score on &
&tally ' // trim(to_str(t % id)))
end select
case (ESTIMATOR_COLLISION)
scoring_diff_nuclide = &
@ -3334,6 +3349,19 @@ contains
&analog and collision estimators.")
end select
!=========================================================================
! Temperature derivative:
! If we are scoring a reaction rate for a single nuclide then
! c = Sigma_MT_i
! c = sigma_MT_i * N_i
! d_c / d_T = (d_sigma_Mt_i / d_T) * N_i
! (1 / c) * (d_c / d_T) = (d_sigma_MT_i / d_T) / sigma_MT_i
! If the score is for the total material (i_nuclide = -1)
! (1 / c) * (d_c / d_T) = Sum_i((d_sigma_MT_i / d_T) * N_i) / Sigma_MT_i
! where i is the perturbed nuclide. The d_sigma_MT_i / d_T term is
! computed by multipole_deriv_eval. It only works for the resolved
! resonance range and requires multipole data.
case (DIFF_TEMPERATURE)
select case (t % estimator)
@ -3718,7 +3746,7 @@ contains
case (DIFF_DENSITY)
associate (mat => materials(p % material))
if (mat % id == deriv % diff_material) then
! phi = e^(-Sigma_tot * dist)
! phi is proportional to e^(-Sigma_tot * dist)
! (1 / phi) * (d_phi / d_rho) = - (d_Sigma_tot / d_rho) * dist
! (1 / phi) * (d_phi / d_rho) = - Sigma_tot / rho * dist
deriv % flux_deriv = deriv % flux_deriv &
@ -3729,7 +3757,7 @@ contains
case (DIFF_NUCLIDE_DENSITY)
associate (mat => materials(p % material))
if (mat % id == deriv % diff_material) then
! phi = e^(-Sigma_tot * dist)
! phi is proportional to e^(-Sigma_tot * dist)
! (1 / phi) * (d_phi / d_N) = - (d_Sigma_tot / d_N) * dist
! (1 / phi) * (d_phi / d_N) = - sigma_tot * dist
deriv % flux_deriv = deriv % flux_deriv &
@ -3745,6 +3773,9 @@ contains
if (nuc % mp_present .and. &
p % E >= nuc % multipole % start_E .and. &
p % E <= nuc % multipole % end_E) then
! phi is proportional to e^(-Sigma_tot * dist)
! (1 / phi) * (d_phi / d_T) = - (d_Sigma_tot / d_T) * dist
! (1 / phi) * (d_phi / d_T) = - N (d_sigma_tot / d_T) * dist
call multipole_deriv_eval(nuc % multipole, p % E, &
p % sqrtkT, dsigT, dsigA, dsigF)
deriv % flux_deriv = deriv % flux_deriv &
@ -3761,7 +3792,18 @@ contains
!===============================================================================
! SCORE_COLLISION_DERIVATIVE Adjust flux derivatives on differential tallies to
! account for a neutron colliding in the perturbed material.
! account for a neutron scattering in the perturbed material. Note that this
! subroutine will be called after absorption events in addition to scattering
! events, but any flux derivatives scored after an absorption will never be
! tallied. This is because the order of operations is
! 1. Particle is moved.
! 2. score_track_derivative is called.
! 3. Collision physics are computed, and the particle is labeled absorbed.
! 4. Analog- and collision-estimated tallies are scored.
! 5. This subroutine is called.
! 6. Particle is killed and no more tallies are scored.
! Hence, it is safe to assume that only derivative of the scattering cross
! section need to be computed here.
!===============================================================================
subroutine score_collision_derivative(p)
@ -3780,8 +3822,8 @@ contains
case (DIFF_DENSITY)
associate (mat => materials(p % material))
if (mat % id == deriv % diff_material) then
! phi = Sigma_MT
! (1 / phi) * (d_phi / d_rho) = (d_Sigma_MT / d_rho) / Sigma_MT
! phi is proportional to Sigma_s
! (1 / phi) * (d_phi / d_rho) = (d_Sigma_s / d_rho) / Sigma_s
! (1 / phi) * (d_phi / d_rho) = 1 / rho
deriv % flux_deriv = deriv % flux_deriv &
+ ONE / mat % density_gpcc
@ -3800,9 +3842,9 @@ contains
if (mat % nuclide(j) /= deriv % diff_nuclide) then
call fatal_error("Couldn't find the right nuclide.")
end if
! phi = Sigma_MT
! (1 / phi) * (d_phi / d_N) = (d_Sigma_MT / d_N) / Sigma_MT
! (1 / phi) * (d_phi / d_N) = sigma_MT / Sigma_MT
! phi is proportional to Sigma_s
! (1 / phi) * (d_phi / d_N) = (d_Sigma_s / d_N) / Sigma_s
! (1 / phi) * (d_phi / d_N) = sigma_s / Sigma_s
! (1 / phi) * (d_phi / d_N) = 1 / N
deriv % flux_deriv = deriv % flux_deriv &
+ ONE / mat % atom_density(j)
@ -3818,20 +3860,21 @@ contains
nuc % mp_present .and. &
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
! phi is proportional to Sigma_s
! (1 / phi) * (d_phi / d_T) = (d_Sigma_s / d_T) / Sigma_s
! (1 / phi) * (d_phi / d_T) = (d_sigma_s / d_T) / sigma_s
call multipole_deriv_eval(nuc % multipole, p % last_E, &
p % sqrtkT, dsigT, dsigA, dsigF)
select case(p % event)
case (EVENT_SCATTER)
deriv % flux_deriv = deriv % flux_deriv + (dsigT - dsigA)&
/ (micro_xs(mat % nuclide(l)) % total &
- micro_xs(mat % nuclide(l)) % absorption)
case (EVENT_ABSORB)
deriv % flux_deriv = deriv % flux_deriv &
+ dsigA / micro_xs(mat % nuclide(l)) % absorption
end select
deriv % flux_deriv = deriv % flux_deriv + (dsigT - dsigA)&
/ (micro_xs(mat % nuclide(l)) % total &
- micro_xs(mat % nuclide(l)) % absorption)
! Note that this is an approximation! The real scattering
! cross section is Sigma_s(E'->E, uvw'->uvw) =
! Sigma_s(E') * P(E'->E, uvw'->uvw). We are assuming that
! d_P(E'->E, uvw'->uvw) / d_T = 0 and only computing
! d_S(E') / d_T. Using this approximation in the vicinity
! of low-energy resonances causes errors (~2-5% for PWR
! pincell eigenvalue derivatives).
end if
end associate
end do

2
src/tally_header.F90
View file

@ -25,10 +25,10 @@ module tally_header
type TallyDerivative
integer :: id
real(8) :: flux_deriv
integer :: variable
integer :: diff_material
integer :: diff_nuclide
real(8) :: flux_deriv
end type TallyDerivative
!===============================================================================

2
tests/test_diff_tally/inputs_true.dat
View file

@ -1 +1 @@
be155010540ca076356596aef8511edd58c91772a5e956e5af77437a39ce3d238b91b57df30c2d599fc6e01c887bf73897ee8ed91425c2d475d97202689c2b88
df5a0ee7d353fe25344496058cea42e3244a7ab32c13c34c03b4b2f6adf88579f08a71ec0d22d8d264e50e3663717068ff54308e2d16aed8e085c222a8c2fdbd

304
tests/test_diff_tally/results_true.dat
View file

@ -1,129 +1,177 @@
d_material,d_nuclide,d_variable,score,mean,std. dev.
1,,density,nu-fission,1.11e-02,3.51e-03
1,,density,nu-fission,9.19e-03,3.48e-03
1,,density,nu-fission,9.18e-03,5.56e-04
1,,density,nu-fission,4.82e-03,1.21e-03
1,,density,nu-fission,0.00e+00,0.00e+00
1,,density,nu-fission,0.00e+00,0.00e+00
1,,density,nu-fission,0.00e+00,0.00e+00
1,,density,nu-fission,0.00e+00,0.00e+00
1,O16,nuclide_density,nu-fission,6.11e-01,4.97e-01
1,O16,nuclide_density,nu-fission,2.93e-01,6.38e-01
1,O16,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,O16,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,U235,nuclide_density,nu-fission,2.36e+02,1.40e+01
1,U235,nuclide_density,nu-fission,4.76e+02,2.90e+01
1,U235,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,U235,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,,temperature,nu-fission,-2.34e-07,5.70e-06
1,,temperature,nu-fission,3.95e-06,3.03e-05
1,,temperature,nu-fission,0.00e+00,0.00e+00
1,,temperature,nu-fission,0.00e+00,0.00e+00
3,,density,flux,-4.61e+00,5.24e-01
3,,density,flux,-1.03e+01,1.44e+00
1,,density,flux,-3.13e-01,2.59e-02
1,,density,flux,-2.20e-01,6.88e-02
1,O16,nuclide_density,flux,-7.42e+00,2.58e+00
1,O16,nuclide_density,flux,9.12e-02,1.37e+01
1,U235,nuclide_density,flux,-2.19e+03,1.01e+02
1,U235,nuclide_density,flux,-1.73e+03,1.03e+02
1,,temperature,flux,-4.53e-05,1.53e-04
1,,temperature,flux,9.07e-05,9.43e-05
3,,density,total,-1.83e+00,1.70e-01
3,,density,absorption,5.05e-02,1.70e-02
3,,density,fission,1.02e-01,1.75e-02
3,,density,nu-fission,2.45e-01,4.27e-02
3,,density,total,1.09e-01,1.84e-02
3,,density,absorption,1.28e-01,1.94e-02
3,,density,fission,1.11e-01,1.73e-02
3,,density,nu-fission,2.71e-01,4.22e-02
3,,density,total,7.64e+00,2.06e+00
3,,density,absorption,1.24e-01,4.94e-02
3,,density,fission,0.00e+00,0.00e+00
3,,density,nu-fission,0.00e+00,0.00e+00
3,,density,total,0.00e+00,0.00e+00
3,,density,absorption,0.00e+00,0.00e+00
3,,density,fission,0.00e+00,0.00e+00
3,,density,nu-fission,0.00e+00,0.00e+00
1,,density,total,4.23e-01,1.82e-02
1,,density,absorption,2.15e-02,5.84e-03
1,,density,fission,7.86e-03,3.45e-03
1,,density,nu-fission,2.00e-02,8.35e-03
1,,density,total,1.30e-02,4.22e-03
1,,density,absorption,8.14e-03,4.13e-03
1,,density,fission,5.86e-03,3.50e-03
1,,density,nu-fission,1.43e-02,8.53e-03
1,,density,total,-2.89e-01,9.44e-02
1,,density,absorption,-6.94e-03,2.01e-03
1,,density,fission,0.00e+00,0.00e+00
1,,density,nu-fission,0.00e+00,0.00e+00
1,,density,total,0.00e+00,0.00e+00
1,,density,absorption,0.00e+00,0.00e+00
1,,density,fission,0.00e+00,0.00e+00
1,,density,nu-fission,0.00e+00,0.00e+00
1,O16,nuclide_density,total,4.54e+01,1.65e+00
1,O16,nuclide_density,absorption,1.98e-01,4.51e-01
1,O16,nuclide_density,fission,-3.48e-02,3.76e-01
1,O16,nuclide_density,nu-fission,-9.43e-02,9.15e-01
1,O16,nuclide_density,total,-6.13e-02,4.65e-01
1,O16,nuclide_density,absorption,-3.28e-02,4.51e-01
1,O16,nuclide_density,fission,-1.46e-02,3.78e-01
1,O16,nuclide_density,nu-fission,-3.62e-02,9.21e-01
1,O16,nuclide_density,total,1.04e+00,1.65e+01
1,O16,nuclide_density,absorption,-3.14e-02,2.69e-01
1,O16,nuclide_density,fission,0.00e+00,0.00e+00
1,O16,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,O16,nuclide_density,total,0.00e+00,0.00e+00
1,O16,nuclide_density,absorption,0.00e+00,0.00e+00
1,O16,nuclide_density,fission,0.00e+00,0.00e+00
1,O16,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,U235,nuclide_density,total,-5.09e+02,3.43e+01
1,U235,nuclide_density,absorption,2.35e+02,1.23e+01
1,U235,nuclide_density,fission,2.96e+02,1.01e+01
1,U235,nuclide_density,nu-fission,7.21e+02,2.45e+01
1,U235,nuclide_density,total,4.95e+02,1.13e+01
1,U235,nuclide_density,absorption,3.78e+02,1.11e+01
1,U235,nuclide_density,fission,2.96e+02,1.02e+01
1,U235,nuclide_density,nu-fission,7.22e+02,2.49e+01
1,U235,nuclide_density,total,-3.58e+03,2.51e+02
1,U235,nuclide_density,absorption,-8.88e+01,8.05e+00
1,U235,nuclide_density,fission,0.00e+00,0.00e+00
1,U235,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,U235,nuclide_density,total,0.00e+00,0.00e+00
1,U235,nuclide_density,absorption,0.00e+00,0.00e+00
1,U235,nuclide_density,fission,0.00e+00,0.00e+00
1,U235,nuclide_density,nu-fission,0.00e+00,0.00e+00
1,,temperature,total,9.57e-05,8.25e-05
1,,temperature,absorption,1.75e-05,2.01e-05
1,,temperature,fission,-5.34e-06,5.90e-06
1,,temperature,nu-fission,-1.30e-05,1.44e-05
1,,temperature,total,-8.49e-06,7.80e-06
1,,temperature,absorption,-8.20e-06,7.11e-06
1,,temperature,fission,-5.31e-06,5.87e-06
1,,temperature,nu-fission,-1.29e-05,1.43e-05
1,,temperature,total,1.34e-04,1.35e-04
1,,temperature,absorption,1.75e-06,2.38e-06
1,,temperature,fission,0.00e+00,0.00e+00
1,,temperature,nu-fission,0.00e+00,0.00e+00
1,,temperature,total,0.00e+00,0.00e+00
1,,temperature,absorption,0.00e+00,0.00e+00
1,,temperature,fission,0.00e+00,0.00e+00
1,,temperature,nu-fission,0.00e+00,0.00e+00
3,,density,absorption,4.95e-02,4.11e-02
3,,density,absorption,9.83e-02,3.77e-02
1,,density,absorption,1.60e-02,5.04e-03
1,,density,absorption,-7.46e-03,2.08e-03
1,O16,nuclide_density,absorption,3.63e-01,5.10e-01
1,O16,nuclide_density,absorption,1.02e-01,1.58e-01
1,U235,nuclide_density,absorption,2.21e+02,2.59e+01
1,U235,nuclide_density,absorption,-1.08e+02,8.87e+00
1,,temperature,absorption,-5.32e-06,2.49e-05
1,,temperature,absorption,9.82e-06,9.34e-06
3,,density,nu-fission,-2.30e-02,8.64e-02
3,,density,nu-fission,-1.58e-02,8.56e-02
3,,density,nu-fission,1.01e-01,8.75e-02
3,,density,nu-fission,1.19e-01,8.71e-02
3,,density,nu-fission,0.00e+00,0.00e+00
3,,density,nu-fission,0.00e+00,0.00e+00
3,,density,nu-fission,0.00e+00,0.00e+00
3,,density,nu-fission,0.00e+00,0.00e+00
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,scatter,3.9902949e-02,9.1258428e-03
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,scatter,9.8213745e-04,9.8213745e-04
1,,density,nu-fission,2.7945389e-02,2.0999368e-02
1,,density,scatter,4.0626155e-01,1.7017674e-02
1,,density,nu-fission,2.4595279e-02,2.1224443e-02
1,,density,scatter,2.6505962e-03,2.3698970e-03
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,scatter,-1.2721728e-01,1.8810986e-01
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,scatter,0.0000000e+00,0.0000000e+00
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,scatter,4.1950592e-02,7.3680059e-02
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,scatter,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,scatter,-1.9798576e-02,1.9798576e-02
1,O16,nuclide_density,nu-fission,9.3632921e-01,2.0322286e+00
1,O16,nuclide_density,scatter,-2.2042881e-01,1.6781767e-01
1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,scatter,2.3761276e+00,2.3761276e+00
1,U235,nuclide_density,nu-fission,7.7441690e+02,8.6460933e+01
1,U235,nuclide_density,scatter,9.6917103e+01,1.0750582e+01
1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
1,,temperature,scatter,-2.0607998e-06,2.0607998e-06
1,,temperature,nu-fission,3.8845881e-06,3.5405083e-05
1,,temperature,scatter,-6.6772431e-07,2.0750826e-07
1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
1,,temperature,scatter,0.0000000e+00,0.0000000e+00
1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
1,,temperature,scatter,0.0000000e+00,0.0000000e+00
3,,density,flux,-7.6179774e+00,5.0326447e+00
3,,density,flux,-1.6242019e+01,6.6231774e+00
1,,density,flux,-2.2394746e-01,5.4534297e-02
1,,density,flux,-5.7132854e-02,1.6898134e-01
1,O16,nuclide_density,flux,-1.3403658e+01,1.3017127e+01
1,O16,nuclide_density,flux,-1.0499715e+01,2.1684953e+01
1,U235,nuclide_density,flux,-2.4741168e+03,5.7986812e+01
1,U235,nuclide_density,flux,-1.9955533e+03,4.3254820e+02
1,,temperature,flux,1.0601815e-04,3.3076550e-04
1,,temperature,flux,1.6664450e-04,2.8761112e-04
3,,density,total,-3.3161585e+00,2.5615932e+00
3,,density,absorption,-4.3491248e-01,5.1559021e-01
3,,density,scatter,-2.8812460e+00,2.0540305e+00
3,,density,fission,-2.3060366e-01,3.1191109e-01
3,,density,nu-fission,-5.6817321e-01,7.6143389e-01
3,,density,total,-2.8908007e-01,3.9383184e-01
3,,density,absorption,-2.5237485e-01,3.6565053e-01
3,,density,scatter,-3.6705221e-02,2.9275371e-02
3,,density,fission,-2.1271120e-01,3.0873698e-01
3,,density,nu-fission,-5.1866339e-01,7.5235533e-01
3,,density,total,2.7320569e+00,8.7709465e+00
3,,density,absorption,8.4322466e-02,1.2807898e-01
3,,density,scatter,2.6477344e+00,8.6432567e+00
3,,density,fission,0.0000000e+00,0.0000000e+00
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,total,0.0000000e+00,0.0000000e+00
3,,density,absorption,0.0000000e+00,0.0000000e+00
3,,density,scatter,0.0000000e+00,0.0000000e+00
3,,density,fission,0.0000000e+00,0.0000000e+00
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,total,4.7523439e-01,2.5652004e-02
1,,density,absorption,3.1301234e-02,7.6793142e-03
1,,density,scatter,4.4393315e-01,1.8023252e-02
1,,density,fission,1.5559355e-02,3.2310294e-03
1,,density,nu-fission,3.8658109e-02,7.8012233e-03
1,,density,total,2.2062939e-02,4.3689061e-03
1,,density,absorption,1.6845626e-02,4.0750601e-03
1,,density,scatter,5.2173132e-03,2.9663452e-04
1,,density,fission,1.3503649e-02,3.2642875e-03
1,,density,nu-fission,3.2945474e-02,7.9507685e-03
1,,density,total,-9.4735691e-02,2.5584665e-01
1,,density,absorption,-4.0246397e-03,5.2111770e-03
1,,density,scatter,-9.0711052e-02,2.5073762e-01
1,,density,fission,0.0000000e+00,0.0000000e+00
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,,density,total,0.0000000e+00,0.0000000e+00
1,,density,absorption,0.0000000e+00,0.0000000e+00
1,,density,scatter,0.0000000e+00,0.0000000e+00
1,,density,fission,0.0000000e+00,0.0000000e+00
1,,density,nu-fission,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,total,4.4488215e+01,5.3981603e+00
1,O16,nuclide_density,absorption,-2.9372611e-01,9.3282813e-01
1,O16,nuclide_density,scatter,4.4781941e+01,4.5257555e+00
1,O16,nuclide_density,fission,9.9827872e-02,4.0698927e-01
1,O16,nuclide_density,nu-fission,2.3342880e-01,9.8749212e-01
1,O16,nuclide_density,total,4.0914051e-02,6.2301812e-01
1,O16,nuclide_density,absorption,8.8289354e-02,5.5570922e-01
1,O16,nuclide_density,scatter,-4.7375303e-02,6.7714071e-02
1,O16,nuclide_density,fission,1.3678733e-01,4.4006413e-01
1,O16,nuclide_density,nu-fission,3.3257520e-01,1.0719313e+00
1,O16,nuclide_density,total,-1.6055918e+01,2.3439335e+01
1,O16,nuclide_density,absorption,-3.9601231e-01,3.0131622e-01
1,O16,nuclide_density,scatter,-1.5659906e+01,2.3140407e+01
1,O16,nuclide_density,fission,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,total,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,absorption,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,fission,0.0000000e+00,0.0000000e+00
1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,total,-6.1444902e+02,6.0111692e+01
1,U235,nuclide_density,absorption,2.3977134e+02,4.5868405e+01
1,U235,nuclide_density,scatter,-8.5422036e+02,2.4877920e+01
1,U235,nuclide_density,fission,3.1319132e+02,3.1465126e+01
1,U235,nuclide_density,nu-fission,7.6415465e+02,7.6501604e+01
1,U235,nuclide_density,total,5.0916179e+02,3.5499319e+01
1,U235,nuclide_density,absorption,3.9477360e+02,3.4326165e+01
1,U235,nuclide_density,scatter,1.1438818e+02,2.7378217e+00
1,U235,nuclide_density,fission,3.1360739e+02,3.2243605e+01
1,U235,nuclide_density,nu-fission,7.6527228e+02,7.8683697e+01
1,U235,nuclide_density,total,-4.1815711e+03,8.7796611e+02
1,U235,nuclide_density,absorption,-1.0563226e+02,2.5308627e+01
1,U235,nuclide_density,scatter,-4.0759388e+03,8.5332185e+02
1,U235,nuclide_density,fission,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,total,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,absorption,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,fission,0.0000000e+00,0.0000000e+00
1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
1,,temperature,total,2.1367130e-04,1.8632816e-04
1,,temperature,absorption,6.9456249e-05,3.2199390e-05
1,,temperature,scatter,1.4421505e-04,1.5754180e-04
1,,temperature,fission,3.0674981e-06,1.8048377e-05
1,,temperature,nu-fission,7.4768877e-06,4.3976766e-05
1,,temperature,total,5.8223116e-06,2.3786474e-05
1,,temperature,absorption,5.2142698e-06,2.1901911e-05
1,,temperature,scatter,6.0804185e-07,1.9834890e-06
1,,temperature,fission,3.0674200e-06,1.8048542e-05
1,,temperature,nu-fission,7.4767028e-06,4.3977153e-05
1,,temperature,total,2.1510156e-04,4.6388707e-04
1,,temperature,absorption,2.2409527e-06,8.2901060e-06
1,,temperature,scatter,2.1286061e-04,4.5560034e-04
1,,temperature,fission,0.0000000e+00,0.0000000e+00
1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
1,,temperature,total,0.0000000e+00,0.0000000e+00
1,,temperature,absorption,0.0000000e+00,0.0000000e+00
1,,temperature,scatter,0.0000000e+00,0.0000000e+00
1,,temperature,fission,0.0000000e+00,0.0000000e+00
1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,absorption,-1.6517201e-01,3.0984738e-01
3,,density,absorption,8.0402344e-03,1.4689335e-01
1,,density,absorption,2.9069882e-02,2.2139609e-03
1,,density,absorption,-9.4690065e-03,8.6605392e-03
1,O16,nuclide_density,absorption,7.6911962e-01,4.1945687e-01
1,O16,nuclide_density,absorption,-6.3724795e-01,6.6341488e-01
1,U235,nuclide_density,absorption,1.4109543e+02,1.8518890e+01
1,U235,nuclide_density,absorption,-1.2052822e+02,3.2084002e+01
1,,temperature,absorption,3.9995404e-05,2.1703384e-05
1,,temperature,absorption,2.7274361e-06,8.9339257e-06
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,scatter,-8.7934551e-01,1.0210652e+00
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,scatter,-3.5236516e-03,3.5236516e-03
3,,density,nu-fission,7.2953012e-02,2.9725863e-01
3,,density,scatter,-2.2716410e+00,1.2546347e+00
3,,density,nu-fission,8.9171481e-02,3.0634856e-01
3,,density,scatter,-1.0151747e-03,9.6296775e-03
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,scatter,2.3163923e+00,4.8766690e+00
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,scatter,0.0000000e+00,0.0000000e+00
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,scatter,4.0762434e-01,3.8504141e+00
3,,density,nu-fission,0.0000000e+00,0.0000000e+00
3,,density,scatter,0.0000000e+00,0.0000000e+00

18
tests/test_diff_tally/test_diff_tally.py
View file

@ -2,10 +2,7 @@
import glob
import os
try:
from StringIO import StringIO
except:
from io import StringIO
from io import StringIO
import sys
import pandas as pd
@ -20,9 +17,9 @@ class DiffTallyTestHarness(PyAPITestHarness):
self._input_set.build_default_materials_and_geometry()
# Set settings explicitly
self._input_set.settings.batches = 5
self._input_set.settings.batches = 3
self._input_set.settings.inactive = 0
self._input_set.settings.particles = 400
self._input_set.settings.particles = 100
self._input_set.settings.source = openmc.Source(space=openmc.stats.Box(
[-160, -160, -183], [160, 160, 183]))
self._input_set.settings.temperature['multipole'] = True
@ -30,7 +27,7 @@ class DiffTallyTestHarness(PyAPITestHarness):
self._input_set.tallies = openmc.Tallies()
filt_mats = openmc.MaterialFilter((1, 3))
filt_eout = openmc.EnergyoutFilter((0.0, 1.0e6, 20.0e6))
filt_eout = openmc.EnergyoutFilter((0.0, 0.625, 20.0e6))
# We want density derivatives for both water and fuel to get coverage
# for both fissile and non-fissile materials.
@ -75,6 +72,7 @@ class DiffTallyTestHarness(PyAPITestHarness):
t = openmc.Tally()
t.add_score('total')
t.add_score('absorption')
t.add_score('scatter')
t.add_score('fission')
t.add_score('nu-fission')
t.add_filter(filt_mats)
@ -96,6 +94,7 @@ class DiffTallyTestHarness(PyAPITestHarness):
for i in range(2):
t = openmc.Tally()
t.add_score('nu-fission')
t.add_score('scatter')
t.add_filter(filt_mats)
t.add_filter(filt_eout)
t.add_nuclide('total')
@ -107,6 +106,7 @@ class DiffTallyTestHarness(PyAPITestHarness):
for i in range(2, 5):
t = openmc.Tally()
t.add_score('nu-fission')
t.add_score('scatter')
t.add_filter(filt_mats)
t.add_filter(filt_eout)
t.add_nuclide('U235')
@ -129,7 +129,7 @@ class DiffTallyTestHarness(PyAPITestHarness):
out = StringIO()
cols = ('d_material', 'd_nuclide', 'd_variable', 'score', 'mean',
'std. dev.')
df.to_csv(out, columns=cols, index=False, float_format='%.2e')
df.to_csv(out, columns=cols, index=False, float_format='%.7e')
return out.getvalue()
@ -140,5 +140,5 @@ class DiffTallyTestHarness(PyAPITestHarness):
if __name__ == '__main__':
harness = DiffTallyTestHarness('statepoint.5.*', True)
harness = DiffTallyTestHarness('statepoint.3.h5', True)
harness.main()