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Merge pull request #570 from paulromano/duplicate-scores

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Prevent duplicate scores in XML input
This commit is contained in:
Will Boyd 2016-01-28 13:14:57 -07:00
commit fed74b8d76
8 changed files with 278 additions and 197 deletions
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10
docs/source/_static/theme_overrides.css Normal file
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@ -0,0 +1,10 @@
/* override table width restrictions */
.wy-table-responsive table td, .wy-table-responsive table th {
white-space: normal;
}
.wy-table-responsive {
margin-bottom: 24px;
max-width: 100%;
overflow: visible;
}

4
docs/source/conf.py
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@ -152,7 +152,9 @@ html_title = "OpenMC Documentation"
# Add any paths that contain custom static files (such as style sheets) here,
# relative to this directory. They are copied after the builtin static files,
# so a file named "default.css" will overwrite the builtin "default.css".
#html_static_path = ['_static']
html_static_path = ['_static']
html_context = {'css_files': ['_static/theme_overrides.css']}
# If not '', a 'Last updated on:' timestamp is inserted at every page bottom,
# using the given strftime format.

287
docs/source/usersguide/input.rst
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@ -1475,114 +1475,203 @@ The ``<tally>`` element accepts the following sub-elements:
*Default*: ``tracklength`` but will revert to ``analog`` if necessary.
:scores:
A space-separated list of the desired responses to be accumulated. Accepted
options are "flux", "total", "scatter", "absorption", "fission",
"nu-fission", "delayed-nu-fission", "kappa-fission", "nu-scatter",
"scatter-N", "scatter-PN", "scatter-YN", "nu-scatter-N", "nu-scatter-PN",
"nu-scatter-YN", "flux-YN", "total-YN", "current", "inverse-velocity" and
"events". These correspond to the following physical quantities:
A space-separated list of the desired responses to be accumulated. The accepted
options are listed in the following tables:
:flux:
Total flux in particle-cm per source particle.
.. table:: **Flux scores: units are particle-cm per source particle.**
.. note::
The ``analog`` estimator is actually identical to the ``collision``
estimator for the flux score.
+----------------------+---------------------------------------------------+
|Score | Description |
+======================+===================================================+
|flux |Total flux. |
+----------------------+---------------------------------------------------+
|flux-YN |Spherical harmonic expansion of the direction of |
| |motion :math:`\left(\Omega\right)` of the total |
| |flux. This score will tally all of the harmonic |
| |moments of order 0 to N. N must be between 0 and |
| |10. |
+----------------------+---------------------------------------------------+
:total:
Total reaction rate in reactions per source particle.
.. table:: **Reaction scores: units are reactions per source particle.**
:scatter:
Total scattering rate. Can also be identified with the ``scatter-0``
response type. Units are reactions per source particle.
+----------------------+---------------------------------------------------+
|Score | Description |
+======================+===================================================+
|absorption |Total absorption rate. This accounts for all |
| |reactions which do not produce secondary neutrons. |
+----------------------+---------------------------------------------------+
|elastic |Elastic scattering reaction rate. |
+----------------------+---------------------------------------------------+
|fission |Total fission reaction rate. |
+----------------------+---------------------------------------------------+
|scatter |Total scattering rate. Can also be identified with |
| |the "scatter-0" response type. |
+----------------------+---------------------------------------------------+
|scatter-N |Tally the N\ :sup:`th` \ scattering moment, where N|
| |is the Legendre expansion order of the change in |
| |particle angle :math:`\left(\mu\right)`. N must be |
| |between 0 and 10. As an example, tallying the 2\ |
| |:sup:`nd` \ scattering moment would be specified as|
| |``<scores>scatter-2</scores>``. |
+----------------------+---------------------------------------------------+
|scatter-PN |Tally all of the scattering moments from order 0 to|
| |N, where N is the Legendre expansion order of the |
| |change in particle angle |
| |:math:`\left(\mu\right)`. That is, "scatter-P1" is |
| |equivalent to requesting tallies of "scatter-0" and|
| |"scatter-1". Like for "scatter-N", N must be |
| |between 0 and 10. As an example, tallying up to the|
| |2\ :sup:`nd` \ scattering moment would be specified|
| |as ``<scores> scatter-P2 </scores>``. |
+----------------------+---------------------------------------------------+
|scatter-YN |"scatter-YN" is similar to "scatter-PN" except an |
| |additional expansion is performed for the incoming |
| |particle direction :math:`\left(\Omega\right)` |
| |using the real spherical harmonics. This is useful|
| |for performing angular flux moment weighting of the|
| |scattering moments. Like "scatter-PN", "scatter-YN"|
| |will tally all of the moments from order 0 to N; N |
| |again must be between 0 and 10. |
+----------------------+---------------------------------------------------+
|total |Total reaction rate. |
+----------------------+---------------------------------------------------+
|total-YN |The total reaction rate expanded via spherical |
| |harmonics about the direction of motion of the |
| |neutron, :math:`\Omega`. This score will tally all |
| |of the harmonic moments of order 0 to N. N must be|
| |between 0 and 10. |
+----------------------+---------------------------------------------------+
|(n,2nd) |(n,2nd) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,2n) |(n,2n) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,3n) |(n,3n) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,na) |(n,n\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,n3a) |(n,n3\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,2na) |(n,2n\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,3na) |(n,3n\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,np) |(n,np) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,n2a) |(n,n2\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,2n2a) |(n,2n2\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,nd) |(n,nd) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,nt) |(n,nt) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,nHe-3) |(n,n\ :sup:`3`\ He) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,nd2a) |(n,nd2\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,nt2a) |(n,nt2\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,4n) |(n,4n) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,2np) |(n,2np) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,3np) |(n,3np) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,n2p) |(n,n2p) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,n*X*) |Level inelastic scattering reaction rate. The *X* |
| |indicates what which inelastic level, e.g., (n,n3) |
| |is third-level inelastic scattering. |
+----------------------+---------------------------------------------------+
|(n,nc) |Continuum level inelastic scattering reaction rate.|
+----------------------+---------------------------------------------------+
|(n,gamma) |Radiative capture reaction rate. |
+----------------------+---------------------------------------------------+
|(n,p) |(n,p) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,d) |(n,d) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,t) |(n,t) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,3He) |(n,\ :sup:`3`\ He) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,a) |(n,\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,2a) |(n,2\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,3a) |(n,3\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,2p) |(n,2p) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,pa) |(n,p\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,t2a) |(n,t2\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,d2a) |(n,d2\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,pd) |(n,pd) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,pt) |(n,pt) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,da) |(n,d\ :math:`\alpha`\ ) reaction rate. |
+----------------------+---------------------------------------------------+
|*Arbitrary integer* |An arbitrary integer is interpreted to mean the |
| |reaction rate for a reaction with a given ENDF MT |
| |number. |
+----------------------+---------------------------------------------------+
:absorption:
Total absorption rate. This accounts for all reactions which do not
produce secondary neutrons. Units are reactions per source particle.
.. table:: **Particle production scores: units are particles produced per
source particles.**
:fission:
Total fission rate in reactions per source particle.
+----------------------+---------------------------------------------------+
|Score | Description |
+======================+===================================================+
|delayed-nu-fission |Total production of delayed neutrons due to |
| |fission. |
+----------------------+---------------------------------------------------+
|nu-fission |Total production of neutrons due to fission. |
+----------------------+---------------------------------------------------+
|nu-scatter, |These scores are similar in functionality to their |
|nu-scatter-N, |``scatter*`` equivalents except the total |
|nu-scatter-PN, |production of neutrons due to scattering is scored |
|nu-scatter-YN |vice simply the scattering rate. This accounts for |
| |multiplicity from (n,2n), (n,3n), and (n,4n) |
| |reactions. |
+----------------------+---------------------------------------------------+
:nu-fission:
Total production of neutrons due to fission. Units are neutrons produced
per source neutron.
.. table:: **Miscellaneous scores: units are indicated for each.**
:delayed-nu-fission:
Total production of delayed neutrons due to fission. Units are neutrons produced
per source neutron.
+----------------------+---------------------------------------------------+
|Score | Description |
+======================+===================================================+
|current |Partial currents on the boundaries of each cell in |
| |a mesh. Units are particles per source |
| |particle. Note that this score can only be used if |
| |a mesh filter has been specified. Furthermore, it |
| |may not be used in conjunction with any other |
| |score. |
+----------------------+---------------------------------------------------+
|events |Number of scoring events. Units are events per |
| |source particle. |
+----------------------+---------------------------------------------------+
|inverse-velocity |The flux-weighted inverse velocity where the |
| |velocity is in units of centimeters per second. |
+----------------------+---------------------------------------------------+
|kappa-fission |The recoverable energy production rate due to |
| |fission. The recoverable energy is defined as the |
| |fission product kinetic energy, prompt and delayed |
| |neutron kinetic energies, prompt and delayed |
| |:math:`\gamma`-ray total energies, and the total |
| |energy released by the delayed :math:`\beta` |
| |particles. The neutrino energy does not contribute |
| |to this response. The prompt and delayed |
| |:math:`\gamma`-rays are assumed to deposit their |
| |energy locally. Units are MeV per source particle. |
+----------------------+---------------------------------------------------+
:kappa-fission:
The recoverable energy production rate due to fission. The recoverable
energy is defined as the fission product kinetic energy, prompt and
delayed neutron kinetic energies, prompt and delayed :math:`\gamma`-ray
total energies, and the total energy released by the delayed :math:`\beta`
particles. The neutrino energy does not contribute to this response. The
prompt and delayed :math:`\gamma`-rays are assumed to deposit their energy
locally. Units are MeV per source particle.
:scatter-N:
Tally the N\ :sup:`th` \ scattering moment, where N is the Legendre
expansion order of the change in particle angle :math:`\left(\mu\right)`.
N must be between 0 and 10. As an example, tallying the 2\ :sup:`nd` \
scattering moment would be specified as ``<scores> scatter-2
</scores>``. Units are reactions per source particle.
:scatter-PN:
Tally all of the scattering moments from order 0 to N, where N is the
Legendre expansion order of the change in particle angle
:math:`\left(\mu\right)`. That is, ``scatter-P1`` is equivalent to
requesting tallies of ``scatter-0`` and ``scatter-1``. Like for
``scatter-N``, N must be between 0 and 10. As an example, tallying up to
the 2\ :sup:`nd` \ scattering moment would be specified as ``<scores>
scatter-P2 </scores>``. Units are reactions per source particle.
:scatter-YN:
``scatter-YN`` is similar to ``scatter-PN`` except an additional expansion
is performed for the incoming particle direction
:math:`\left(\Omega\right)` using the real spherical harmonics. This is
useful for performing angular flux moment weighting of the scattering
moments. Like ``scatter-PN``, ``scatter-YN`` will tally all of the moments
from order 0 to N; N again must be between 0 and 10. Units are reactions
per source particle.
:nu-scatter, nu-scatter-N, nu-scatter-PN, nu-scatter-YN:
These scores are similar in functionality to their ``scatter*``
equivalents except the total production of neutrons due to scattering is
scored vice simply the scattering rate. This accounts for multiplicity
from (n,2n), (n,3n), and (n,4n) reactions. Units are neutrons produced per
source particle.
:flux-YN:
Spherical harmonic expansion of the direction of motion
:math:`\left(\Omega\right)` of the total flux. This score will tally all
of the harmonic moments of order 0 to N. N must be between 0
and 10. Units are particle-cm per source particle.
:total-YN:
The total reaction rate expanded via spherical harmonics about the
direction of motion of the neutron, :math:`\Omega`.
This score will tally all of the harmonic moments of order 0 to N. N must
be between 0 and 10. Units are reactions per source particle.
:current:
Partial currents on the boundaries of each cell in a mesh. Units are
particles per source particle.
.. note::
This score can only be used if a mesh filter has been
specified. Furthermore, it may not be used in conjunction with any
other score.
:inverse-velocity:
The flux-weighted inverse velocity where the velocity is in units of
centimeters per second.
.. note::
The ``analog`` estimator is actually identical to the ``collision``
estimator for the inverse-velocity score.
:events:
Number of scoring events. Units are events per source particle.
.. note::
The ``analog`` estimator is actually identical to the ``collision``
estimator for the flux and inverse-velocity scores.
:trigger:
Precision trigger applied to all filter bins and nuclides for this tally.

2
src/ace.F90
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@ -3,7 +3,7 @@ module ace
use ace_header, only: Nuclide, Reaction, SAlphaBeta, XsListing
use constants
use distribution_univariate, only: Uniform, Equiprobable, Tabular
use endf, only: reaction_name, is_fission, is_disappearance
use endf, only: is_fission, is_disappearance
use energy_distribution, only: TabularEquiprobable, LevelInelastic, &
ContinuousTabular, MaxwellEnergy, Evaporation, WattEnergy, NBodyPhaseSpace
use error, only: fatal_error, warning

47
src/endf.F90
View file

@ -17,6 +17,53 @@ contains
character(20) :: string
select case (MT)
! Special reactions for tallies
case (SCORE_FLUX)
string = "flux"
case (SCORE_TOTAL)
string = "total"
case (SCORE_SCATTER)
string = "scatter"
case (SCORE_NU_SCATTER)
string = "nu-scatter"
case (SCORE_SCATTER_N)
string = "scatter-n"
case (SCORE_SCATTER_PN)
string = "scatter-pn"
case (SCORE_NU_SCATTER_N)
string = "nu-scatter-n"
case (SCORE_NU_SCATTER_PN)
string = "nu-scatter-pn"
case (SCORE_TRANSPORT)
string = "transport"
case (SCORE_N_1N)
string = "n1n"
case (SCORE_ABSORPTION)
string = "absorption"
case (SCORE_FISSION)
string = "fission"
case (SCORE_NU_FISSION)
string = "nu-fission"
case (SCORE_DELAYED_NU_FISSION)
string = "delayed-nu-fission"
case (SCORE_KAPPA_FISSION)
string = "kappa-fission"
case (SCORE_CURRENT)
string = "current"
case (SCORE_FLUX_YN)
string = "flux-yn"
case (SCORE_TOTAL_YN)
string = "total-yn"
case (SCORE_SCATTER_YN)
string = "scatter-yn"
case (SCORE_NU_SCATTER_YN)
string = "nu-scatter-yn"
case (SCORE_EVENTS)
string = "events"
case (SCORE_INVERSE_VELOCITY)
string = "inverse-velocity"
! Normal ENDF-based reactions
case (TOTAL_XS)
string = '(n,total)'
case (ELASTIC)

27
src/input_xml.F90
View file

@ -5,6 +5,7 @@ module input_xml
use dict_header, only: DictIntInt, ElemKeyValueCI
use distribution_multivariate
use distribution_univariate
use endf, only: reaction_name
use energy_grid, only: grid_method, n_log_bins
use error, only: fatal_error, warning
use geometry_header, only: Cell, Lattice, RectLattice, HexLattice
@ -3426,6 +3427,32 @@ contains
! Deallocate temporary string array of scores
deallocate(sarray)
! Check that no duplicate scores exist
j = 1
do while (j < n_scores)
! Determine number of bins for scores with expansions
n_order = t % moment_order(j)
select case (t % score_bins(j))
case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN)
n_bins = n_order + 1
case (SCORE_FLUX_YN, SCORE_TOTAL_YN, SCORE_SCATTER_YN, &
SCORE_NU_SCATTER_YN)
n_bins = (n_order + 1)**2
case default
n_bins = 1
end select
do k = j + n_bins, n_scores
if (t % score_bins(j) == t % score_bins(k) .and. &
t % moment_order(j) == t % moment_order(k)) then
call fatal_error("Duplicate score of type '" // trim(&
reaction_name(t % score_bins(j))) // "' found in tally " &
// trim(to_str(t % id)))
end if
end do
j = j + n_bins
end do
else
call fatal_error("No <scores> specified on tally " &
&// trim(to_str(t % id)) // ".")

49
src/state_point.F90
View file

@ -310,54 +310,7 @@ contains
call write_dataset(tally_group, "n_score_bins", tally%n_score_bins)
allocate(str_array(size(tally%score_bins)))
do j = 1, size(tally%score_bins)
select case(tally%score_bins(j))
case (SCORE_FLUX)
str_array(j) = "flux"
case (SCORE_TOTAL)
str_array(j) = "total"
case (SCORE_SCATTER)
str_array(j) = "scatter"
case (SCORE_NU_SCATTER)
str_array(j) = "nu-scatter"
case (SCORE_SCATTER_N)
str_array(j) = "scatter-n"
case (SCORE_SCATTER_PN)
str_array(j) = "scatter-pn"
case (SCORE_NU_SCATTER_N)
str_array(j) = "nu-scatter-n"
case (SCORE_NU_SCATTER_PN)
str_array(j) = "nu-scatter-pn"
case (SCORE_TRANSPORT)
str_array(j) = "transport"
case (SCORE_N_1N)
str_array(j) = "n1n"
case (SCORE_ABSORPTION)
str_array(j) = "absorption"
case (SCORE_FISSION)
str_array(j) = "fission"
case (SCORE_NU_FISSION)
str_array(j) = "nu-fission"
case (SCORE_DELAYED_NU_FISSION)
str_array(j) = "delayed-nu-fission"
case (SCORE_KAPPA_FISSION)
str_array(j) = "kappa-fission"
case (SCORE_CURRENT)
str_array(j) = "current"
case (SCORE_FLUX_YN)
str_array(j) = "flux-yn"
case (SCORE_TOTAL_YN)
str_array(j) = "total-yn"
case (SCORE_SCATTER_YN)
str_array(j) = "scatter-yn"
case (SCORE_NU_SCATTER_YN)
str_array(j) = "nu-scatter-yn"
case (SCORE_EVENTS)
str_array(j) = "events"
case (SCORE_INVERSE_VELOCITY)
str_array(j) = "inverse-velocity"
case default
str_array(j) = reaction_name(tally%score_bins(j))
end select
str_array(j) = reaction_name(tally%score_bins(j))
end do
call write_dataset(tally_group, "score_bins", str_array)
call write_dataset(tally_group, "n_user_score_bins", tally%n_user_score_bins)

49
src/summary.F90
View file

@ -639,54 +639,7 @@ contains
call write_dataset(tally_group, "n_score_bins", t%n_score_bins)
allocate(str_array(size(t%score_bins)))
do j = 1, size(t%score_bins)
select case(t%score_bins(j))
case (SCORE_FLUX)
str_array(j) = "flux"
case (SCORE_TOTAL)
str_array(j) = "total"
case (SCORE_SCATTER)
str_array(j) = "scatter"
case (SCORE_NU_SCATTER)
str_array(j) = "nu-scatter"
case (SCORE_SCATTER_N)
str_array(j) = "scatter-n"
case (SCORE_SCATTER_PN)
str_array(j) = "scatter-pn"
case (SCORE_NU_SCATTER_N)
str_array(j) = "nu-scatter-n"
case (SCORE_NU_SCATTER_PN)
str_array(j) = "nu-scatter-pn"
case (SCORE_TRANSPORT)
str_array(j) = "transport"
case (SCORE_N_1N)
str_array(j) = "n1n"
case (SCORE_ABSORPTION)
str_array(j) = "absorption"
case (SCORE_FISSION)
str_array(j) = "fission"
case (SCORE_NU_FISSION)
str_array(j) = "nu-fission"
case (SCORE_DELAYED_NU_FISSION)
str_array(j) = "delayed-nu-fission"
case (SCORE_KAPPA_FISSION)
str_array(j) = "kappa-fission"
case (SCORE_CURRENT)
str_array(j) = "current"
case (SCORE_FLUX_YN)
str_array(j) = "flux-yn"
case (SCORE_TOTAL_YN)
str_array(j) = "total-yn"
case (SCORE_SCATTER_YN)
str_array(j) = "scatter-yn"
case (SCORE_NU_SCATTER_YN)
str_array(j) = "nu-scatter-yn"
case (SCORE_EVENTS)
str_array(j) = "events"
case (SCORE_INVERSE_VELOCITY)
str_array(j) = "inverse-velocity"
case default
str_array(j) = reaction_name(t%score_bins(j))
end select
str_array(j) = reaction_name(t%score_bins(j))
end do
call write_dataset(tally_group, "score_bins", str_array)