diff --git a/LICENSE b/LICENSE index 0b9c351371..f009376324 100644 --- a/LICENSE +++ b/LICENSE @@ -1,4 +1,4 @@ -Copyright (c) 2011-2014 Massachusetts Institute of Technology +Copyright (c) 2011-2015 Massachusetts Institute of Technology Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in diff --git a/data/cross_sections_nndc.xml b/data/cross_sections_nndc.xml index 9ebc79e257..3a7a5ca72e 100644 --- a/data/cross_sections_nndc.xml +++ b/data/cross_sections_nndc.xml @@ -64,7 +64,7 @@ - + @@ -157,7 +157,7 @@ - + @@ -166,7 +166,7 @@ - + @@ -195,9 +195,9 @@ - + - + @@ -255,7 +255,7 @@ - + @@ -292,7 +292,7 @@ - + @@ -388,10 +388,10 @@ - + - + @@ -421,7 +421,7 @@ - + @@ -487,7 +487,7 @@ - + @@ -580,7 +580,7 @@ - + @@ -589,7 +589,7 @@ - + @@ -618,9 +618,9 @@ - + - + @@ -678,7 +678,7 @@ - + @@ -715,7 +715,7 @@ - + @@ -811,10 +811,10 @@ - + - + @@ -844,7 +844,7 @@ - + diff --git a/data/get_nndc_data.py b/data/get_nndc_data.py index 7e964bff88..12a6de6e0b 100755 --- a/data/get_nndc_data.py +++ b/data/get_nndc_data.py @@ -7,6 +7,7 @@ import subprocess import sys import tarfile import glob +import hashlib try: from urllib.request import urlopen @@ -20,6 +21,8 @@ from convert_binary import ascii_to_binary baseUrl = 'http://www.nndc.bnl.gov/endf/b7.1/aceFiles/' files = ['ENDF-B-VII.1-neutron-293.6K.tar.gz', 'ENDF-B-VII.1-tsl.tar.gz'] +checksums = ['9729a17eb62b75f285d8a7628ace1449', + 'e17d827c92940a30f22f096d910ea186'] block_size = 16384 # ============================================================================== @@ -65,6 +68,18 @@ for f in files: print('') filesComplete.append(f) +# ============================================================================== +# VERIFY MD5 CHECKSUMS + +print('Verifying MD5 checksums...') +for f, checksum in zip(files, checksums): + downloadsum = hashlib.md5(open(f, 'r').read()).hexdigest() + if downloadsum != checksum: + raise IOError("MD5 checksum for {} does not match. If this is your first " + "time receiving this message, please re-run the script. " + "Otherwise, please contact OpenMC developers by emailing " + "openmc-users@googlegroups.com.") + # ============================================================================== # EXTRACT FILES FROM TGZ @@ -78,6 +93,10 @@ for f in files: print('Extracting {0}...'.format(f)) tgz.extractall(path='nndc/' + suffix) +# Move ACE files down one level +for filename in glob.glob('nndc/293.6K/ENDF-B-VII.1-neutron-293.6K/*'): + shutil.move(filename, 'nndc/293.6K/') + #=============================================================================== # EDIT GRAPHITE ZAID (6012 to 6000) diff --git a/docs/source/_images/uniongrid.svg b/docs/source/_images/uniongrid.svg deleted file mode 100644 index 27c3922fdf..0000000000 --- a/docs/source/_images/uniongrid.svg +++ /dev/null @@ -1,792 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - image/svg+xml - - - - - - - - E1 - - E2 - - E3 - - E4 - - E5 - - E6 - - E7 - - E8 - UnionEnergy Grid - - 0 - NuclidePointers - - 0 - - 1 - - 1 - - 1 - - 2 - - 3 - - 3 - - - - - - - - - - E1 - - E2 - - E3 - NuclideEnergy Grid - - σ1 - - σ2 - - σ3 - NuclideCross Sections - - - - diff --git a/docs/source/conf.py b/docs/source/conf.py index 12558139e1..5af14cc6e2 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -48,7 +48,7 @@ copyright = u'2011-2014, Massachusetts Institute of Technology' # The short X.Y version. version = "0.6" # The full version, including alpha/beta/rc tags. -release = "0.6.1" +release = "0.6.2" # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/docs/source/developers.rst b/docs/source/developers.rst index a1001321f5..d4e9570a8d 100644 --- a/docs/source/developers.rst +++ b/docs/source/developers.rst @@ -10,6 +10,8 @@ Active development of the OpenMC Monte Carlo code is currently led by: * `Bryan Herman `_ * `Nick Horelik `_ * `Adam Nelson `_ +* `Jon Walsh `_ +* `Sterling Harper `_ * `Benoit Forget `_ * `Kord Smith `_ * `Andrew Siegel `_ diff --git a/docs/source/devguide/statepoint.rst b/docs/source/devguide/statepoint.rst index 0fc02171c6..6407a3cc7d 100644 --- a/docs/source/devguide/statepoint.rst +++ b/docs/source/devguide/statepoint.rst @@ -215,17 +215,18 @@ if (run_mode == MODE_EIGENVALUE) Values of specified scoring bins (e.g. SCORE_FLUX). - *do j = 1, tallies(i) % n_score_bins* - - **integer(4) tallies(i) % scatt_order(j)** - - Scattering Order specified scoring bins. - **integer(4) tallies(i) % n_score_bins** Number of scoring bins without accounting for those added by the scatter-pn command. + *do j = 1, tallies(i) % n_user_score_bins* + + **character(8) tallies(i) % moment_order(j)** + + Tallying moment order for Legendre and spherical + harmonic tally expansions (*e.g.*, 'P2', 'Y1,2', etc.). + **integer(4) source_present** Flag indicated if source bank is present in the file diff --git a/docs/source/license.rst b/docs/source/license.rst index e7f4b3a69d..73e3296172 100644 --- a/docs/source/license.rst +++ b/docs/source/license.rst @@ -4,7 +4,7 @@ License Agreement ================= -Copyright © 2011-2014 Massachusetts Institute of Technology +Copyright © 2011-2015 Massachusetts Institute of Technology Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst index a193dde96d..db2e5156ee 100644 --- a/docs/source/methods/cross_sections.rst +++ b/docs/source/methods/cross_sections.rst @@ -47,45 +47,28 @@ there would be for burnup calculations. Thus, there is a strong motive to implement a method of reducing the number of energy grid searches in order to speed up the calculation. -Unionized Energy Grid ---------------------- +Logarithmic Mapping +------------------- -The most naïve method to reduce the number of energy grid searches is to -construct a new energy grid that consists of the union of the energy points of -each nuclide and use this energy grid for all nuclides. This method is -computationally very efficient as it only requires one energy grid search at -each collision as well as one interpolation between cross section values since -the interpolation factor can be used for all nuclides. However, it requires -redundant storage of cross section values at points which were added to each -nuclide grid. This additional burden on memory storage can become quite -prohibitive. To lessen that burden, the unionized energy grid can be thinned -with cross sections reconstructed on the thinned energy grid. This method is -currently used by default in the Serpent Monte Carlo code. +To speed up energy grid searches, OpenMC uses logarithmic mapping technique +[Brown]_ to limit the range of energies that must be searched for each +nuclide. The entire energy range is divided up into equal-lethargy segments, and +the bounding energies of each segment are mapped to bounding indices on each of +the nuclide energy grids. By default, OpenMC uses 8000 equal-lethargy segments +as recommended by Brown. -Unionized Energy Grid with Nuclide Pointers -------------------------------------------- +Other Methods +------------- -While having a unionized grid that is used for all nuclides allows for very fast -lookup of cross sections, the burden on memory is in many circumstances -unacceptable. The OpenMC Monte Carlo code utilizes a method that allows for a -single energy grid search to be performed at every collision while avoiding the -redundant storage of cross section values. Instead of using the unionized grid -for every nuclide, the original energy grid of each nuclide is kept and a list -of pointers (of the same length as the unionized energy grid) is constructed for -each nuclide that gives the corresponding grid index on the nuclide grid for a -given grid index on the unionized grid. One must still interpolate on cross -section values for each nuclide since the interpolation factors will generally -be different. The figure below illustrates this method. All values within the -dashed box would need to be stored on a per-nuclide basis, and the union grid -would need to be stored once. This method is also referred to as *double -indexing* and is available as an option in Serpent (see paper by Leppanen_). +A good survey of other energy grid techniques, including unionized energy grids, +can be found in a paper by Leppanen_. -.. figure:: ../_images/uniongrid.* - :width: 600px - :align: center - :figclass: align-center +---------- +References +---------- - Mapping of union energy grid to nuclide energy grid through pointers. +.. [Brown] Forrest B. Brown, "New Hash-based Energy Lookup Algorithm for Monte + Carlo codes," LA-UR-14-24530, Los Alamos National Laboratory (2014). .. _MCNP: http://mcnp.lanl.gov .. _Serpent: http://montecarlo.vtt.fi diff --git a/docs/source/methods/geometry.rst b/docs/source/methods/geometry.rst index 1515ffa891..1ba29b79ef 100644 --- a/docs/source/methods/geometry.rst +++ b/docs/source/methods/geometry.rst @@ -421,7 +421,7 @@ satisfy the following equations x^2 + y^2 + z^2 - 10^2 < 0 \\ x - (-3) > 0 \\ - x - 2 < 0 + y - 2 < 0 In order to determine if a point is inside the cell, we would substitute its coordinates into equation :eq:`cell-contains-example`. If the inequalities are diff --git a/docs/source/methods/physics.rst b/docs/source/methods/physics.rst index 54dc913455..db6cfd89e9 100644 --- a/docs/source/methods/physics.rst +++ b/docs/source/methods/physics.rst @@ -682,17 +682,20 @@ nuclear temperature, which is a function of the incoming energy of the neutron. The ACE format contains a list of nuclear temperatures versus incoming energies. The nuclear temperature is interpolated between neighboring incoming energies using a specified interpolation law. Once the temperature :math:`T` is -determined, we then calculate a candidate outgoing energy based on rule C45 in -the `Monte Carlo Sampler`_: +determined, we then calculate a candidate outgoing energy based on the algorithm +given in LA-UR-14-27694_: .. math:: :label: evaporation-E - E' = -T \log (\xi_1 \xi_2) + E' = -T \log ((1 - g\xi_1)(1 - g\xi_2)) -where :math:`\xi_1, \xi_2` are random numbers sampled on the unit -interval. The outgoing energy is only accepted according to a specified -restriction energy as in equation :eq:`maxwell-restriction`. +where :math:`g = 1 - e^{-w}`, :math:`w = (E - U)/T`, :math:`U` is the +restriction energy, and :math:`\xi_1, \xi_2` are random numbers sampled on the +unit interval. The outgoing energy is only accepted according to the restriction +energy as in equation :eq:`maxwell-restriction`. This algorithm has a much +higher rejection efficiency than the standard technique, i.e. rule C45 in the +`Monte Carlo Sampler`_. ACE Law 11 - Energy-Dependent Watt Spectrum +++++++++++++++++++++++++++++++++++++++++++ @@ -1591,6 +1594,8 @@ References .. _Monte Carlo Sampler: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-9721_3rdmcsampler.pdf +.. _LA-UR-14-27694: http://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-UR-14-27694 + .. _MC21: http://www.osti.gov/bridge/servlets/purl/903083-HT5p1o/903083.pdf .. _Sutton and Brown: http://www.osti.gov/bridge/product.biblio.jsp?osti_id=307911 diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst index 9dd6be6d1d..3fb9036d39 100644 --- a/docs/source/quickinstall.rst +++ b/docs/source/quickinstall.rst @@ -35,9 +35,9 @@ OpenMC from source as is described in :ref:`usersguide_install`. Installing from Source on Linux or Mac OS X ------------------------------------------- -All OpenMC source code is hosted on GitHub_. If you have git_ and the gfortran_ -compiler installed, you can download and install OpenMC be entering the -following commands in a terminal: +All OpenMC source code is hosted on GitHub_. If you have git_, the gfortran_ +compiler, and CMake_ installed, you can download and install OpenMC be entering +the following commands in a terminal: .. code-block:: sh @@ -58,3 +58,4 @@ can be replaced with a local install, e.g. .. _GitHub: https://github.com/mit-crpg/openmc .. _git: http://git-scm.com .. _gfortran: http://gcc.gnu.org/wiki/GFortran +.. _CMake: http://www.cmake.org diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst index 9799a5cfc7..556cf518a5 100644 --- a/docs/source/releasenotes/index.rst +++ b/docs/source/releasenotes/index.rst @@ -10,6 +10,7 @@ bugs fixed, and known issues for each successive release. .. toctree:: :maxdepth: 1 + notes_0.6.2 notes_0.6.1 notes_0.6.0 notes_0.5.4 diff --git a/docs/source/releasenotes/notes_0.6.2.rst b/docs/source/releasenotes/notes_0.6.2.rst new file mode 100644 index 0000000000..eefc493fcf --- /dev/null +++ b/docs/source/releasenotes/notes_0.6.2.rst @@ -0,0 +1,58 @@ +.. _notes_0.6.2: + +============================== +Release Notes for OpenMC 0.6.2 +============================== + +------------------- +System Requirements +------------------- + +There are no special requirements for running the OpenMC code. As of this +release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, +and Microsoft Windows 7. Memory requirements will vary depending on the size of +the problem at hand (mostly on the number of nuclides in the problem). + +------------ +New Features +------------ + +- Meshline plotting capability +- Support for plotting cells/materials on middle universe levels +- Ability to model cells with no surfaces +- Compatibility with PETSc 3.5 +- Compatability with OpenMPI 1.7/1.8 +- Improved overall performance via logarithmic-mapped energy grid search +- Improved multi-threaded performance with atomic operations +- Support for fixed source problems with fissionable materials + +--------- +Bug Fixes +--------- + +- 26fb93_: Fix problem with -t, --track command-line flag +- 2f07c0_: Improved evaporation spectrum algorithm +- e6abb9_: Fix segfault when tallying in a void material +- 291b45_: Handle metastable nuclides in NNDC data and multiplicities in MT=5 data + +.. _26fb93: https://github.com/mit-crpg/openmc/commit/26fb93 +.. _2f07c0: https://github.com/mit-crpg/openmc/commit/2f07c0 +.. _e6abb9: https://github.com/mit-crpg/openmc/commit/e6abb9 +.. _291b45: https://github.com/mit-crpg/openmc/commit/291b45 + +------------ +Contributors +------------ + +This release contains new contributions from the following people: + +- `Will Boyd `_ +- `Matt Ellis `_ +- `Sterling Harper `_ +- `Bryan Herman `_ +- `Nicholas Horelik `_ +- `Anton Leontiev `_ +- `Adam Nelson `_ +- `Paul Romano `_ +- `Jon Walsh `_ +- `John Xia `_ diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 7132a67cdb..20fd66e2f7 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -134,13 +134,15 @@ should be performed. It has the following attributes/sub-elements: ------------------------- The ```` element determines the treatment of the energy grid during -a simulation. Setting this element to "nuclide" will cause OpenMC to use a -nuclide's energy grid when determining what points to interpolate between for -determining cross sections (i.e. non-unionized energy grid). To use a unionized -energy grid, set this element to "union". Note that the unionized energy grid -treatment is slightly different than that employed in Serpent. +a simulation. The valid options are "nuclide" and "logarithm". Setting this +element to "nuclide" will cause OpenMC to use a nuclide's energy grid when +determining what points to interpolate between for determining cross sections +(i.e. non-unionized energy grid). Setting this element to "logarithm" causes +OpenMC to use a logarithmic mapping technique described in LA-UR-14-24530_. - *Default*: union + *Default*: logarithm + +.. _LA-UR-14-24530: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-14-24530.pdf ```` Element --------------------- @@ -182,6 +184,16 @@ performed. It has the following attributes/sub-elements: *Default*: None +```` Element +--------------------------- + +The ```` element indicates the number of bins to use for the +logarithmic-mapped energy grid. Using more bins will result in energy grid +searches over a smaller range at the expense of more memory. The default is +based on the recommended value in LA-UR-14-24530_. + + *Default*: 8000 + .. _natural_elements: ```` Element @@ -821,11 +833,13 @@ sub-elements: *Default*: None - :outside: - The unique integer identifier of a material that is to be used to fill all - space outside of the lattice. This element is optional. + :outer: + The unique integer identifier of a universe that will be used to fill all + space outside of the lattice. The universe will be tiled repeatedly as if + it were placed in a lattice of infinite size. This element is optional. - *Default*: The region outside the defined lattice is treated as void. + *Default*: An error will be raised if a particle leaves a lattice with no + outer universe. :universes: A list of the universe numbers that fill each cell of the lattice. @@ -1022,6 +1036,16 @@ The ```` element accepts the following sub-elements: *Default*: total + :estimator: + The estimator element is used to force the use of either ``analog`` or + ``tracklength`` tally estimation. ''analog'' is generally less efficient + though it can be used with every score type. ''tracklength'' is generally + the most efficient, though its usage is restricted to tallies that do not + score particle information which requires a collision to have occured, such + as a scattering tally which utilizes outgoing energy filters. + + *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", @@ -1572,3 +1596,15 @@ into MATLAB using PETSc-MATLAB utilities. This option can be turned on with "true" and off with "false". *Default*: false + +------------------------------------ +ERSN-OpenMC Graphical User Interface +------------------------------------ + +A third-party Java-based user-friendly graphical user interface for creating XML +input files called ERSN-OpenMC_ is developed and maintained by members of the +Radiation and Nuclear Systems Group at the Faculty of Sciences Tetouan, Morocco. +The GUI also allows one to automatically download prerequisites for installing and +running OpenMC. + +.. _ERSN-OpenMC: https://github.com/EL-Bakkali-Jaafar/ERSN-OpenMC diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst index 33e5936586..7cb7ac7a45 100644 --- a/docs/source/usersguide/install.rst +++ b/docs/source/usersguide/install.rst @@ -66,14 +66,11 @@ Prerequisites To compile with support for parallel runs on a distributed-memory architecture, you will need to have a valid implementation of MPI installed on your machine. The code has been tested and is known to work - with the latest versions of both OpenMPI_ and MPICH_. Note that if using - OpenMPI, make sure that --with-mpi-f90-size is not set to medium or large - since this may prevent MPI calls from completing successfully in - OpenMC. OpenMPI and/or MPICH can be installed on Debian derivatives - with:: + with the latest versions of both OpenMPI_ and MPICH_. OpenMPI and/or MPICH + can be installed on Debian derivatives with:: - sudo apt-get install mpich2 libmpich2-dev - sudo apt-get install openmpi1.6-bin libopenmpi1.6-dev + sudo apt-get install mpich libmpich-dev + sudo apt-get install openmpi-bin libopenmpi1.6 libopenmpi-dev * HDF5_ Library for portable binary output format diff --git a/man/man1/openmc.1 b/man/man1/openmc.1 index eaca4afabf..102adfbdc3 100644 --- a/man/man1/openmc.1 +++ b/man/man1/openmc.1 @@ -46,7 +46,7 @@ to locate ACE format cross section libraries if the user has not specified the tag in .I settings.xml\fP. .SH LICENSE -Copyright \(co 2011-2014 Massachusetts Institute of Technology. +Copyright \(co 2011-2015 Massachusetts Institute of Technology. .PP Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index bf657c03de..dd920bfcc0 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -195,6 +195,20 @@ if(petsc) list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_RT_LIB}) endif() + # If libssl wasn't found, search /usr/lib64 + if(PETSC_SSL_LIB STREQUAL "PETSC_SSL_LIB-NOTFOUND") + find_library(PETSC_SSL_LIB libssl.so /usr/lib64) + list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_SSL_LIB-NOTFOUND) + list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_SSL_LIB}) + endif() + + # If libcrypto wasn't found, search /usr/lib64 + if(PETSC_CRYPTO_LIB STREQUAL "PETSC_CRYPTO_LIB-NOTFOUND") + find_library(PETSC_CRYPTO_LIB libcrypto.so /usr/lib64) + list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_CRYPTO_LIB-NOTFOUND) + list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_CRYPTO_LIB}) + endif() + message("-- Using PETSC: ${libpetsc}") add_definitions(-DPETSC) include_directories($ENV{PETSC_DIR}/include) @@ -255,6 +269,9 @@ install(PROGRAMS utils/statepoint_histogram.py install(PROGRAMS utils/statepoint_meshplot.py DESTINATION bin RENAME statepoint_meshplot) +install(PROGRAMS utils/update_inputs.py + DESTINATION bin + RENAME update_inputs) install(FILES ../man/man1/openmc.1 DESTINATION share/man/man1) install(FILES ../LICENSE DESTINATION "share/doc/${program}/copyright") @@ -347,7 +364,7 @@ foreach(test ${TESTS}) elseif(${test} MATCHES "test_sourcepoint_restart") set(RESTART_FILE statepoint.07.h5 source.07.h5) elseif(${test} MATCHES "test_particle_restart_eigval") - set(RESTART_FILE particle_12_842.h5) + set(RESTART_FILE particle_12_616.h5) elseif(${test} MATCHES "test_particle_restart_fixed") set(RESTART_FILE particle_7_6144.h5) else(${test} MATCHES "test_statepoint_restart") @@ -362,7 +379,7 @@ foreach(test ${TESTS}) elseif(${test} MATCHES "test_sourcepoint_restart") set(RESTART_FILE statepoint.07.binary source.07.binary) elseif(${test} MATCHES "test_particle_restart_eigval") - set(RESTART_FILE particle_12_842.binary) + set(RESTART_FILE particle_12_616.binary) elseif(${test} MATCHES "test_particle_restart_fixed") set(RESTART_FILE particle_7_6144.binary) else(${test} MATCHES "test_statepoint_restart") diff --git a/src/ace.F90 b/src/ace.F90 index 4d13bfc1df..c1845fffb4 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -94,7 +94,7 @@ contains & scheme) nuclides(i_nuclide) % E_min = nuclides_0K(n) % E_min nuclides(i_nuclide) % E_max = nuclides_0K(n) % E_max - if (.not. already_read % contains(nuclides(i_nuclide) % & + if (.not. already_read % contains(nuclides(i_nuclide) % & & name_0K)) then i_listing = xs_listing_dict % get_key(nuclides(i_nuclide) % & & name_0K) @@ -368,14 +368,6 @@ contains call read_unr_res(nuc) end if - ! Currently subcritical fixed source calculations are not allowed. Thus, - ! if any fissionable material is found in a fixed source calculation, - ! abort the run. - if (run_mode == MODE_FIXEDSOURCE .and. nuc % fissionable) then - call fatal_error("Cannot have fissionable material in a fixed source & - &run.") - end if - ! for fissionable nuclides, precalculate microscopic nu-fission cross ! sections so that we don't need to call the nu_total function during ! cross section lookups (except if we're dealing w/ 0K data for resonant @@ -443,7 +435,7 @@ contains ! Skip total and absorption XSS_index = XSS_index + 2*NE - + ! Continue reading elastic scattering and heating nuc % elastic_0K = get_real(NE) @@ -479,13 +471,13 @@ contains ! Read data from XSS -- only the energy grid, elastic scattering and heating ! cross section values are actually read from here. The total and absorption ! cross sections are reconstructed from the partial reaction data. - + XSS_index = 1 nuc % energy = get_real(NE) - + ! Skip total and absorption XSS_index = XSS_index + 2*NE - + ! Continue reading elastic scattering and heating nuc % elastic = get_real(NE) @@ -703,7 +695,8 @@ contains integer :: LXS ! location of cross-section locators integer :: LOCA ! location of cross-section for given MT integer :: IE ! reaction's starting index on energy grid - integer :: NE ! number of energies for reaction + integer :: NE ! number of energies + integer :: NR ! number of interpolation regions type(Reaction), pointer :: rxn => null() type(ListInt) :: MTs @@ -754,18 +747,40 @@ contains rxn % multiplicity = abs(nint(XSS(JXS5 + i - 1))) rxn % scatter_in_cm = (nint(XSS(JXS5 + i - 1)) < 0) - ! If multiplicity is energy-dependent (absolute value > 100), set it based - ! on the MT value + ! Read energy-dependent multiplicities if (rxn % multiplicity > 100) then - if (any(rxn%MT == [11, 16, 24, 30, 41])) then - rxn % multiplicity = 2 - elseif (any(rxn%MT == [17, 25, 42])) then - rxn % multiplicity = 3 - elseif (rxn%MT == 37) then - rxn % multiplicity = 4 - else - rxn % multiplicity = 1 + ! Set flag and allocate space for Tab1 to store yield + rxn % multiplicity_with_E = .true. + allocate(rxn % multiplicity_E) + + XSS_index = JXS(11) + rxn % multiplicity - 101 + NR = nint(XSS(XSS_index)) + rxn % multiplicity_E % n_regions = NR + + ! allocate space for ENDF interpolation parameters + if (NR > 0) then + allocate(rxn % multiplicity_E % nbt(NR)) + allocate(rxn % multiplicity_E % int(NR)) end if + + ! read ENDF interpolation parameters + XSS_index = XSS_index + 1 + if (NR > 0) then + rxn % multiplicity_E % nbt = get_int(NR) + rxn % multiplicity_E % int = get_int(NR) + end if + + ! allocate space for yield data + XSS_index = XSS_index + 2*NR + NE = nint(XSS(XSS_index)) + rxn % multiplicity_E % n_pairs = NE + allocate(rxn % multiplicity_E % x(NE)) + allocate(rxn % multiplicity_E % y(NE)) + + ! read yield data + XSS_index = XSS_index + 1 + rxn % multiplicity_E % x = get_real(NE) + rxn % multiplicity_E % y = get_real(NE) end if ! read starting energy index diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 76492dfe80..1f34a2311b 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -51,8 +51,10 @@ module ace_header integer :: MT ! ENDF MT value real(8) :: Q_value ! Reaction Q value integer :: multiplicity ! Number of secondary particles released + type(Tab1), pointer :: multiplicity_E => null() ! Energy-dependent neutron yield integer :: threshold ! Energy grid index of threshold logical :: scatter_in_cm ! scattering system in center-of-mass? + logical :: multiplicity_with_E = .false. ! Flag to indicate E-dependent multiplicity real(8), allocatable :: sigma(:) ! Cross section values logical :: has_angle_dist ! Angle distribution present? logical :: has_energy_dist ! Energy distribution present? @@ -101,7 +103,7 @@ module ace_header ! Energy grid information integer :: n_grid ! # of nuclide grid points - integer, allocatable :: grid_index(:) ! pointers to union grid + integer, allocatable :: grid_index(:) ! union grid pointers / log grid mapping real(8), allocatable :: energy(:) ! energy values corresponding to xs ! Microscopic cross sections @@ -334,8 +336,9 @@ module ace_header class(Reaction), intent(inout) :: this ! The Reaction object to clear - if (allocated(this % sigma)) & - deallocate(this % sigma) + if (allocated(this % sigma)) deallocate(this % sigma) + + if (associated(this % multiplicity_E)) deallocate(this % multiplicity_E) if (associated(this % edist)) then call this % edist % clear() diff --git a/src/constants.F90 b/src/constants.F90 index af12b97be2..bac301e36a 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -8,7 +8,7 @@ module constants ! OpenMC major, minor, and release numbers integer, parameter :: VERSION_MAJOR = 0 integer, parameter :: VERSION_MINOR = 6 - integer, parameter :: VERSION_RELEASE = 1 + integer, parameter :: VERSION_RELEASE = 2 ! Revision numbers for binary files integer, parameter :: REVISION_STATEPOINT = 13 @@ -127,6 +127,9 @@ module constants SURF_CONE_Y = 10, & ! Cone parallel to y-axis SURF_CONE_Z = 11 ! Cone parallel to z-axis + ! Flag to say that the outside of a lattice is not defined + integer, parameter :: NO_OUTER_UNIVERSE = -22 + ! Maximum number of lost particles integer, parameter :: MAX_LOST_PARTICLES = 10 @@ -365,9 +368,8 @@ module constants ! Energy grid methods integer, parameter :: & - GRID_NUCLIDE = 1, & ! non-unionized energy grid - GRID_UNION = 2, & ! union grid with pointers - GRID_LETHARGY = 3 ! lethargy mapping + GRID_NUCLIDE = 1, & ! non-unionized energy grid + GRID_LOGARITHM = 2 ! logarithmic mapping ! Running modes integer, parameter :: & diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 8e4c19cccd..1672405e8d 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -2,6 +2,7 @@ module cross_section use ace_header, only: Nuclide, SAlphaBeta, Reaction, UrrData use constants + use energy_grid, only: grid_method, log_spacing use error, only: fatal_error use fission, only: nu_total use global @@ -14,9 +15,6 @@ module cross_section implicit none save - integer :: union_grid_index -!$omp threadprivate(union_grid_index) - contains !=============================================================================== @@ -50,9 +48,6 @@ contains mat => materials(p % material) - ! Find energy index on unionized grid - if (grid_method == GRID_UNION) call find_energy_index(p % E) - ! Determine if this material has S(a,b) tables check_sab = (mat % n_sab > 0) @@ -142,8 +137,10 @@ contains integer, intent(in) :: i_sab ! index into sab_tables array real(8), intent(in) :: E ! energy - integer :: i_grid ! index on nuclide energy grid - real(8) :: f ! interp factor on nuclide energy grid + integer :: i_grid ! index on nuclide energy grid + integer :: i_low, i_high ! bounding indices from logarithmic mapping + integer :: u ! index into logarithmic mapping array + real(8) :: f ! interp factor on nuclide energy grid type(Nuclide), pointer, save :: nuc => null() !$omp threadprivate(nuc) @@ -152,16 +149,29 @@ contains ! Determine index on nuclide energy grid select case (grid_method) - case (GRID_UNION) - ! If we're using the unionized grid with pointers, finding the index on - ! the nuclide energy grid is as simple as looking up the pointer + case (GRID_LOGARITHM) + ! Determine the energy grid index using a logarithmic mapping to reduce + ! the energy range over which a binary search needs to be performed - i_grid = nuc % grid_index(union_grid_index) + if (E < nuc % energy(1)) then + i_grid = 1 + elseif (E > nuc % energy(nuc % n_grid)) then + i_grid = nuc % n_grid - 1 + else + ! Determine bounding indices based on which equal log-spaced interval + ! the energy is in + u = int(log(E/1.0e-11_8)/log_spacing) + i_low = nuc % grid_index(u) + i_high = nuc % grid_index(u + 1) + 1 + + ! Perform binary search over reduced range + i_grid = binary_search(nuc % energy(i_low:i_high), & + i_high - i_low + 1, E) + i_low - 1 + end if case (GRID_NUCLIDE) - ! If we're not using the unionized grid, we have to do a binary search on - ! the nuclide energy grid in order to determine which points to - ! interpolate between + ! Perform binary search on the nuclide energy grid in order to determine + ! which points to interpolate between if (E < nuc % energy(1)) then i_grid = 1 @@ -198,7 +208,7 @@ contains micro_xs(i_nuclide) % total = (ONE - f) * nuc % total(i_grid) & + f * nuc % total(i_grid+1) - ! Calculate microscopic nuclide total cross section + ! Calculate microscopic nuclide elastic cross section micro_xs(i_nuclide) % elastic = (ONE - f) * nuc % elastic(i_grid) & + f * nuc % elastic(i_grid+1) @@ -496,27 +506,6 @@ contains end subroutine calculate_urr_xs -!=============================================================================== -! FIND_ENERGY_INDEX determines the index on the union energy grid at a certain -! energy -!=============================================================================== - - subroutine find_energy_index(E) - - real(8), intent(in) :: E ! energy of particle - - ! if particle's energy is outside of energy grid range, set to first or last - ! index. Otherwise, do a binary search through the union energy grid. - if (E < e_grid(1)) then - union_grid_index = 1 - elseif (E > e_grid(n_grid)) then - union_grid_index = n_grid - 1 - else - union_grid_index = binary_search(e_grid, n_grid, E) - end if - - end subroutine find_energy_index - !=============================================================================== ! 0K_ELASTIC_XS determines the microscopic 0K elastic cross section ! for a given nuclide at the trial relative energy used in resonance scattering diff --git a/src/eigenvalue.F90 b/src/eigenvalue.F90 index 58dd02841f..860e2271fb 100644 --- a/src/eigenvalue.F90 +++ b/src/eigenvalue.F90 @@ -104,7 +104,7 @@ contains ! END OF RUN WRAPUP if (master) call header("SIMULATION FINISHED", level=1) - + ! Clear particle call p % clear() @@ -278,7 +278,7 @@ contains #ifdef MPI start = 0_8 - call MPI_EXSCAN(n_bank, start, 1, MPI_INTEGER8, MPI_SUM, & + call MPI_EXSCAN(n_bank, start, 1, MPI_INTEGER8, MPI_SUM, & MPI_COMM_WORLD, mpi_err) ! While we would expect the value of start on rank 0 to be 0, the MPI @@ -288,7 +288,7 @@ contains finish = start + n_bank total = finish - call MPI_BCAST(total, 1, MPI_INTEGER8, n_procs - 1, & + call MPI_BCAST(total, 1, MPI_INTEGER8, n_procs - 1, & MPI_COMM_WORLD, mpi_err) #else @@ -360,9 +360,9 @@ contains ! indices for all processors #ifdef MPI - ! First do an exclusive scan to get the starting indices for + ! First do an exclusive scan to get the starting indices for start = 0_8 - call MPI_EXSCAN(index_temp, start, 1, MPI_INTEGER8, MPI_SUM, & + call MPI_EXSCAN(index_temp, start, 1, MPI_INTEGER8, MPI_SUM, & MPI_COMM_WORLD, mpi_err) finish = start + index_temp @@ -422,7 +422,7 @@ contains ! process if (neighbor /= rank) then n_request = n_request + 1 - call MPI_ISEND(temp_sites(index_local), n, MPI_BANK, neighbor, & + call MPI_ISEND(temp_sites(index_local), int(n), MPI_BANK, neighbor, & rank, MPI_COMM_WORLD, request(n_request), mpi_err) end if @@ -466,7 +466,7 @@ contains ! asynchronous receive for the source sites n_request = n_request + 1 - call MPI_IRECV(source_bank(index_local), n, MPI_BANK, & + call MPI_IRECV(source_bank(index_local), int(n), MPI_BANK, & neighbor, neighbor, MPI_COMM_WORLD, request(n_request), mpi_err) else @@ -537,10 +537,10 @@ contains m % n_dimension = 3 allocate(m % dimension(3)) m % dimension = n - + ! determine width m % width = (m % upper_right - m % lower_left) / m % dimension - + end if ! allocate p diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index 4c4061a201..234a856c1e 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -1,152 +1,62 @@ module energy_grid - use constants, only: MAX_LINE_LEN use global - use list_header, only: ListReal - use output, only: write_message implicit none + integer :: grid_method ! how to treat the energy grid + integer :: n_log_bins ! number of bins for logarithmic grid + real(8) :: log_spacing ! spacing on logarithmic grid + contains !=============================================================================== -! UNIONIZED_GRID creates a single unionized energy grid combined from each -! nuclide of each material. Right now, the grid for each nuclide is added into a -! linked list one at a time with an effective insertion sort. Could be done with -! a hash for all energy points and then a quicksort at the end (what hash -! function to use?) +! LOGARITHMIC_GRID determines a logarithmic mapping for energies to bounding +! indices on a nuclide energy grid !=============================================================================== - subroutine unionized_grid() + subroutine logarithmic_grid() - integer :: i ! index in nuclides array - type(ListReal), pointer :: list => null() - type(Nuclide), pointer :: nuc => null() - - call write_message("Creating unionized energy grid...", 5) - - ! Add grid points for each nuclide in the problem - do i = 1, n_nuclides_total - nuc => nuclides(i) - call add_grid_points(list, nuc % energy) - end do - - ! Set size of unionized energy grid - n_grid = list % size() - - ! create allocated array from linked list - allocate(e_grid(n_grid)) - do i = 1, n_grid - e_grid(i) = list % get_item(i) - end do - - ! delete linked list and dictionary - call list % clear() - deallocate(list) - - ! Set pointers to unionized energy grid for each nuclide - call grid_pointers() - - end subroutine unionized_grid - -!=============================================================================== -! ADD_GRID_POINTS adds energy points from the 'energy' array into a linked list -! of points already stored from previous arrays. -!=============================================================================== - - subroutine add_grid_points(list, energy) - - type(ListReal), pointer :: list - real(8), intent(in) :: energy(:) - - integer :: i ! index in energy array - integer :: n ! size of energy array - integer :: current ! current index - real(8) :: E ! actual energy value - - i = 1 - n = size(energy) - - ! If the original list is empty, we need to allocate the first element and - ! store first energy point - if (.not. associated(list)) then - allocate(list) - do i = 1, n - call list % append(energy(i)) - end do - return - end if - - ! Set current index to beginning of the list - current = 1 - - do while (i <= n) - E = energy(i) - - ! If we've reached the end of the grid energy list, add the remaining - ! energy points to the end - if (current > list % size()) then - ! Finish remaining energies - do while (i <= n) - call list % append(energy(i)) - i = i + 1 - end do - exit - end if - - if (E < list % get_item(current)) then - - ! Insert new energy in this position - call list % insert(current, E) - - ! Advance index in linked list and in new energy grid - i = i + 1 - current = current + 1 - - elseif (E == list % get_item(current)) then - ! Found the exact same energy, no need to store duplicates so just - ! skip and move to next index - i = i + 1 - current = current + 1 - else - current = current + 1 - end if - - end do - - end subroutine add_grid_points - -!=============================================================================== -! GRID_POINTERS creates an array of pointers (ints) for each nuclide to link -! each point on the nuclide energy grid to one on the unionized energy grid -!=============================================================================== - - subroutine grid_pointers() - - integer :: i ! loop index for nuclides - integer :: j ! loop index for nuclide energy grid - integer :: index_e ! index on union energy grid - real(8) :: union_energy ! energy on union grid - real(8) :: energy ! energy on nuclide grid + integer :: i, j, k ! Loop indices + integer :: M ! Number of equally log-spaced bins + real(8) :: E_max ! Maximum energy in MeV + real(8) :: E_min ! Minimum energy in MeV + real(8), allocatable :: umesh(:) ! Equally log-spaced energy grid type(Nuclide), pointer :: nuc => null() + ! Set minimum/maximum energies + E_max = 20.0_8 + E_min = 1.0e-11_8 + + ! Determine equal-logarithmic energy spacing + M = n_log_bins + log_spacing = log(E_max/E_min)/M + + ! Create equally log-spaced energy grid + allocate(umesh(0:M)) + umesh(:) = [(i*log_spacing, i=0, M)] + do i = 1, n_nuclides_total + ! Allocate logarithmic mapping for nuclide nuc => nuclides(i) - allocate(nuc % grid_index(n_grid)) + allocate(nuc % grid_index(0:M)) - index_e = 1 - energy = nuc % energy(index_e) - - do j = 1, n_grid - union_energy = e_grid(j) - if (union_energy >= energy .and. index_e < nuc % n_grid) then - index_e = index_e + 1 - energy = nuc % energy(index_e) - end if - nuc % grid_index(j) = index_e - 1 + ! Determine corresponding indices in nuclide grid to energies on + ! equal-logarithmic grid + j = 1 + do k = 0, M - 1 + do while (log(nuc%energy(j + 1)/E_min) <= umesh(k)) + j = j + 1 + end do + nuc % grid_index(k) = j end do + + ! Set the last point explicitly so that we don't have out-of-bounds issues + nuc % grid_index(M) = size(nuc % energy) - 1 end do - end subroutine grid_pointers + deallocate(umesh) + + end subroutine logarithmic_grid end module energy_grid diff --git a/src/geometry.F90 b/src/geometry.F90 index e9cbbf088d..3aeaf3afc4 100644 --- a/src/geometry.F90 +++ b/src/geometry.F90 @@ -280,17 +280,7 @@ contains p % coord % xyz = xyz else - - ! We're outside the lattice, so treat this as a normal cell with - ! the material specified for the outside - outside_lattice = .true. - p % last_material = p % material - p % material = c % material - - ! We'll still make a new coordinate for the particle, as - ! distance_to_boundary will still need to track through lattice - ! widths even though there's nothing in them but this material end if @@ -322,13 +312,13 @@ contains if (.not. outside_lattice) then p % coord % next % universe = lat % universes(i_x,i_y,i_z) else - - ! Set universe as the same for subsequent calls to find_cell - p % coord % next % universe = p % coord % universe - - ! Set coord cell for calls to distance_to_boundary - p % coord % next % cell = index_cell - + if (lat % outer == NO_OUTER_UNIVERSE) then + call fatal_error("A particle is outside latttice " & + &// trim(to_str(lat % id)) // " but the lattice has no & + &defined outer universe.") + else + p % coord % next % universe = lat % outer + end if end if ! Move particle to next level @@ -336,10 +326,9 @@ contains end if - if (.not. outside_lattice) then - call find_cell(p, found) - if (.not. found) exit - end if + ! Find in the next lowest coordinate level. + call find_cell(p, found) + if (.not. found) exit end if diff --git a/src/geometry_header.F90 b/src/geometry_header.F90 index 0cfb357b81..57cb5f5906 100644 --- a/src/geometry_header.F90 +++ b/src/geometry_header.F90 @@ -30,7 +30,7 @@ module geometry_header real(8), allocatable :: lower_left(:) ! lower-left corner of lattice real(8), allocatable :: width(:) ! width of each lattice cell integer, allocatable :: universes(:,:,:) ! specified universes - integer :: outside ! material to fill area outside + integer :: outer ! universe to tile outside the lat end type Lattice !=============================================================================== diff --git a/src/global.F90 b/src/global.F90 index 874b8d0d1a..ec11216608 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -77,11 +77,6 @@ module global type(DictCharInt) :: sab_dict type(DictCharInt) :: xs_listing_dict - ! Unionized energy grid - integer :: grid_method ! how to treat the energy grid - integer :: n_grid ! number of points on unionized grid - real(8), allocatable :: e_grid(:) ! energies on unionized grid - ! Unreoslved resonance probablity tables logical :: urr_ptables_on = .true. @@ -223,7 +218,6 @@ module global type(Timer) :: time_total ! timer for total run type(Timer) :: time_initialize ! timer for initialization type(Timer) :: time_read_xs ! timer for reading cross sections - type(Timer) :: time_unionize ! timer for unionizing energy grid type(Timer) :: time_bank ! timer for fission bank synchronization type(Timer) :: time_bank_sample ! timer for fission bank sampling type(Timer) :: time_bank_sendrecv ! timer for fission bank SEND/RECV @@ -462,9 +456,6 @@ contains if (allocated(matching_bins)) deallocate(matching_bins) if (allocated(tally_maps)) deallocate(tally_maps) - ! Deallocate energy grid - if (allocated(e_grid)) deallocate(e_grid) - ! Deallocate fission and source bank and entropy !$omp parallel if (allocated(fission_bank)) deallocate(fission_bank) diff --git a/src/hdf5_summary.F90 b/src/hdf5_summary.F90 index 7ddb6c3d6a..9d6a603f91 100644 --- a/src/hdf5_summary.F90 +++ b/src/hdf5_summary.F90 @@ -67,7 +67,7 @@ contains end if ! Terminate access to the file. - call su % file_close() + call su % file_close() end subroutine hdf5_write_summary @@ -80,7 +80,7 @@ contains ! Write version information call su % write_data(VERSION_MAJOR, "version_major") call su % write_data(VERSION_MINOR, "version_minor") - call su % write_data(VERSION_RELEASE, "version_release") + call su % write_data(VERSION_RELEASE, "version_release") ! Write current date and time call su % write_data(time_stamp(), "date_and_time") @@ -88,7 +88,7 @@ contains ! Write MPI information call su % write_data(n_procs, "n_procs") call su % write_attribute_string("n_procs", "description", & - "Number of MPI processes") + "Number of MPI processes") end subroutine hdf5_write_header @@ -175,7 +175,7 @@ contains call su % write_data("lattice", "fill_type", & group="geometry/cells/cell " // trim(to_str(c % id))) call su % write_data(lattices(c % fill) % id, "lattice", & - group="geometry/cells/cell " // trim(to_str(c % id))) + group="geometry/cells/cell " // trim(to_str(c % id))) end select ! Write list of bounding surfaces @@ -333,7 +333,7 @@ contains length=lat % n_dimension, & group="geometry/lattices/lattice " // trim(to_str(lat % id))) - call su % write_data(lat % outside, "outside", & + call su % write_data(lat % outer, "outer", & group="geometry/lattices/lattice " // trim(to_str(lat % id))) ! Determine dimensions of lattice @@ -718,8 +718,6 @@ contains group="timing") call su % write_data(time_read_xs % elapsed, "time_read_xs", & group="timing") - call su % write_data(time_unionize % elapsed, "time_unionize", & - group="timing") call su % write_data(time_transport % elapsed, "time_transport", & group="timing") call su % write_data(time_bank % elapsed, "time_bank", & @@ -744,8 +742,6 @@ contains "Total time elapsed for initialization (s)", group="timing") call su % write_attribute_string("time_read_xs", "description", & "Time reading cross-section libraries (s)", group="timing") - call su % write_attribute_string("time_unionize", "description", & - "Time unionizing energy grid (s)", group="timing") call su % write_attribute_string("time_transport", "description", & "Time in transport only (s)", group="timing") call su % write_attribute_string("time_bank", "description", & diff --git a/src/initialize.F90 b/src/initialize.F90 index a418b3ec32..ec64a1f19b 100644 --- a/src/initialize.F90 +++ b/src/initialize.F90 @@ -4,7 +4,7 @@ module initialize use bank_header, only: Bank use constants use dict_header, only: DictIntInt, ElemKeyValueII - use energy_grid, only: unionized_grid + use energy_grid, only: logarithmic_grid, grid_method use error, only: fatal_error, warning use geometry, only: neighbor_lists use geometry_header, only: Cell, Universe, Lattice, BASE_UNIVERSE @@ -108,11 +108,9 @@ contains ! Create linked lists for multiple instances of the same nuclide call same_nuclide_list() - ! Construct unionized energy grid from cross-sections - if (grid_method == GRID_UNION) then - call time_unionize % start() - call unionized_grid() - call time_unionize % stop() + ! Construct logarithmic energy grid for cross-sections + if (grid_method == GRID_LOGARITHM) then + call logarithmic_grid() end if ! Allocate and setup tally stride, matching_bins, and tally maps @@ -551,7 +549,7 @@ contains integer :: j ! index for various purposes integer :: k ! loop index for lattices integer :: m ! loop index for lattices - integer :: mid, lid ! material and lattice IDs + integer :: lid ! lattice IDs integer :: n_x, n_y, n_z ! size of lattice integer :: i_array ! index in surfaces/materials array integer :: id ! user-specified id @@ -609,18 +607,8 @@ contains c % fill = universe_dict % get_key(id) elseif (lattice_dict % has_key(id)) then lid = lattice_dict % get_key(id) - mid = lattices(lid) % outside c % type = CELL_LATTICE c % fill = lid - if (mid == MATERIAL_VOID) then - c % material = mid - else if (material_dict % has_key(mid)) then - c % material = material_dict % get_key(mid) - else - call fatal_error("Could not find material " // trim(to_str(mid)) & - &// " specified on lattice " // trim(to_str(lid))) - end if - else call fatal_error("Specified fill " // trim(to_str(id)) // " on cell "& &// trim(to_str(c % id)) // " is neither a universe nor a & @@ -656,6 +644,16 @@ contains end do end do + if (lat % outer /= NO_OUTER_UNIVERSE) then + if (universe_dict % has_key(lat % outer)) then + lat % outer = universe_dict % get_key(lat % outer) + else + call fatal_error("Invalid universe number " & + &// trim(to_str(lat % outer)) & + &// " specified on lattice " // trim(to_str(lat % id))) + end if + end if + end do TALLY_LOOP: do i = 1, n_tallies diff --git a/src/input_xml.F90 b/src/input_xml.F90 index b76ec39277..45c3298781 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -3,6 +3,7 @@ module input_xml use cmfd_input, only: configure_cmfd use constants use dict_header, only: DictIntInt, ElemKeyValueCI + use energy_grid, only: grid_method, n_log_bins use error, only: fatal_error, warning use geometry_header, only: Cell, Surface, Lattice use global @@ -207,19 +208,30 @@ contains if (check_for_node(doc, "energy_grid")) then call get_node_value(doc, "energy_grid", temp_str) else - temp_str = 'union' + temp_str = 'logarithm' end if select case (trim(temp_str)) case ('nuclide') grid_method = GRID_NUCLIDE case ('union') - grid_method = GRID_UNION - case ('lethargy') - call fatal_error("Lethargy mapped energy grid not yet supported.") + call fatal_error("Union energy grid is no longer supported.") + case ('logarithm', 'logarithmic', 'log') + grid_method = GRID_LOGARITHM case default call fatal_error("Unknown energy grid method: " // trim(temp_str)) end select + ! Number of bins for logarithmic grid + if (check_for_node(doc, "log_grid_bins")) then + call get_node_value(doc, "log_grid_bins", n_log_bins) + if (n_log_bins < 1) then + call fatal_error("Number of bins for logarithmic grid must be & + &greater than zero.") + end if + else + n_log_bins = 8000 + end if + ! Verbosity if (check_for_node(doc, "verbosity")) then call get_node_ptr(doc, "verbosity", node_verb) @@ -524,11 +536,11 @@ contains ! Copy dimensions call get_node_array(node_entropy, "dimension", entropy_mesh % dimension) - + ! Calculate width entropy_mesh % width = (entropy_mesh % upper_right - & entropy_mesh % lower_left) / entropy_mesh % dimension - + end if ! Turn on Shannon entropy calculation @@ -892,7 +904,6 @@ contains integer :: universe_num integer :: n_cells_in_univ integer :: coeffs_reqd - integer :: mid integer :: temp_int_array3(3) integer, allocatable :: temp_int_array(:) real(8) :: phi, theta, psi @@ -1329,15 +1340,18 @@ contains end do deallocate(temp_int_array) - ! Read material for area outside lattice - lat % outside = MATERIAL_VOID + ! Read outer universe for area outside lattice. + lat % outer = NO_OUTER_UNIVERSE + if (check_for_node(node_lat, "outer")) then + call get_node_value(node_lat, "outer", lat % outer) + end if + + ! Check for 'outside' nodes which are no longer supported. if (check_for_node(node_lat, "outside")) then - call get_node_value(node_lat, "outside", mid) - if (mid == 0 .or. mid == MATERIAL_VOID) then - lat % outside = MATERIAL_VOID - else - lat % outside = mid - end if + call fatal_error("The use of 'outside' in lattices is no longer & + &supported. Instead, use 'outer' which defines a universe rather & + &than a material. The utility openmc/src/utils/update_inputs.py & + &can be used automatically replace 'outside' with 'outer'.") end if ! Add lattice to dictionary @@ -2331,7 +2345,7 @@ contains j = j + 1 ! Get the input string in scores(l) but if score is one of the moment ! scores then strip off the n and store it as an integer to be used - ! later. Then perform the select case on this modified (number + ! later. Then perform the select case on this modified (number ! removed) string score_name = sarray(l) do imomstr = 1, size(MOMENT_STRS) @@ -2822,7 +2836,7 @@ contains ! Copy plot cell universe level if (check_for_node(node_plot, "level")) then call get_node_value(node_plot, "level", pl % level) - + if (pl % level < 0) then call fatal_error("Bad universe level in plot " & &// trim(to_str(pl % id))) @@ -2928,7 +2942,7 @@ contains call warning("Meshlines ignored in voxel plot " & &// trim(to_str(pl % id))) end if - + select case(n_meshlines) case (0) ! Skip if no meshlines are specified @@ -2936,7 +2950,7 @@ contains ! Get pointer to meshlines call get_list_item(node_meshline_list, 1, node_meshlines) - + ! Check mesh type if (check_for_node(node_meshlines, "meshtype")) then call get_node_value(node_meshlines, "meshtype", meshtype) @@ -2944,7 +2958,7 @@ contains call fatal_error("Must specify a meshtype for meshlines & &specification in plot " // trim(to_str(pl % id))) end if - + ! Ensure that there is a linewidth for this meshlines specification if (check_for_node(node_meshlines, "linewidth")) then call get_node_value(node_meshlines, "linewidth", & @@ -2956,19 +2970,19 @@ contains ! Check for color if (check_for_node(node_meshlines, "color")) then - + ! Check and make sure 3 values are specified for RGB if (get_arraysize_double(node_meshlines, "color") /= 3) then call fatal_error("Bad RGB for meshlines color in plot " & &// trim(to_str(pl % id))) end if - + call get_node_array(node_meshlines, "color", & pl % meshlines_color % rgb) else - + pl % meshlines_color % rgb = (/ 0, 0, 0 /) - + end if ! Set mesh based on type @@ -2979,7 +2993,7 @@ contains call fatal_error("No UFS mesh for meshlines on plot " & &// trim(to_str(pl % id))) end if - + pl % meshlines_mesh => ufs_mesh case ('cmfd') @@ -2995,17 +3009,17 @@ contains pl % meshlines_mesh => meshes(i_mesh) case ('entropy') - + if (.not. associated(entropy_mesh)) then call fatal_error("No entropy mesh for meshlines on plot " & &// trim(to_str(pl % id))) end if - + if (.not. allocated(entropy_mesh % dimension)) then call fatal_error("No dimension specified on entropy mesh & &for meshlines on plot " // trim(to_str(pl % id))) end if - + pl % meshlines_mesh => entropy_mesh case ('tally') @@ -3040,9 +3054,9 @@ contains call fatal_error("Mutliple meshlines specified in plot " & &// trim(to_str(pl % id))) end select - + end if - + ! Deal with masks call get_node_list(node_plot, "mask", node_mask_list) n_masks = get_list_size(node_mask_list) diff --git a/src/output.F90 b/src/output.F90 index ce5059feb8..739ab9c11e 100644 --- a/src/output.F90 +++ b/src/output.F90 @@ -50,7 +50,7 @@ contains ! Write version information write(UNIT=OUTPUT_UNIT, FMT=*) & - ' Copyright: 2011-2014 Massachusetts Institute of Technology' + ' Copyright: 2011-2015 Massachusetts Institute of Technology' write(UNIT=OUTPUT_UNIT, FMT=*) & ' License: http://mit-crpg.github.io/openmc/license.html' write(UNIT=OUTPUT_UNIT, FMT='(6X,"Version:",8X,I1,".",I1,".",I1)') & @@ -157,7 +157,7 @@ contains if (master) then write(UNIT=OUTPUT_UNIT, FMT='(1X,A,1X,I1,".",I1,".",I1)') & "OpenMC version", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE - write(UNIT=OUTPUT_UNIT, FMT=*) "Copyright (c) 2011-2013 & + write(UNIT=OUTPUT_UNIT, FMT=*) "Copyright (c) 2011-2015 & &Massachusetts Institute of Technology" write(UNIT=OUTPUT_UNIT, FMT=*) "MIT/X license at & &" @@ -216,7 +216,7 @@ contains i_start = 0 do - if (length - i_start < line_wrap - 1) then + if (length - i_start < line_wrap + 1) then ! Remainder of message will fit on line write(ou, fmt='(1X,A)') message(i_start+1:length) exit @@ -1173,7 +1173,7 @@ contains call header("OpenMC Monte Carlo Code", unit=UNIT_SUMMARY, level=1) write(UNIT=UNIT_SUMMARY, FMT=*) & - "Copyright: 2011-2013 Massachusetts Institute of Technology" + "Copyright: 2011-2015 Massachusetts Institute of Technology" write(UNIT=UNIT_SUMMARY, FMT='(1X,A,7X,2(I1,"."),I1)') & "Version:", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE #ifdef GIT_SHA1 @@ -1226,12 +1226,6 @@ contains end do end if - ! print summary of unionized energy grid - call header("UNIONIZED ENERGY GRID", unit=UNIT_SUMMARY) - write(UNIT_SUMMARY,*) "Points on energy grid: " // trim(to_str(n_grid)) - write(UNIT_SUMMARY,*) "Extra storage required: " // trim(to_str(& - n_grid*n_nuclides_total*4)) // " bytes" - ! print summary of variance reduction call header("VARIANCE REDUCTION", unit=UNIT_SUMMARY) if (survival_biasing) then @@ -1500,7 +1494,6 @@ contains ! display time elapsed for various sections write(ou,100) "Total time for initialization", time_initialize % elapsed write(ou,100) " Reading cross sections", time_read_xs % elapsed - write(ou,100) " Unionizing energy grid", time_unionize % elapsed write(ou,100) "Total time in simulation", time_inactive % elapsed + & time_active % elapsed write(ou,100) " Time in transport only", time_transport % elapsed diff --git a/src/output_interface.F90 b/src/output_interface.F90 index 70f46a8f25..6d43de21f7 100644 --- a/src/output_interface.F90 +++ b/src/output_interface.F90 @@ -138,7 +138,7 @@ contains subroutine file_open(self, filename, mode, serial) character(*), intent(in) :: filename ! name of file to be opened - character(*), intent(in) :: mode ! file access mode + character(*), intent(in) :: mode ! file access mode logical, optional, intent(in) :: serial ! processor rank to write from class(BinaryOutput) :: self @@ -307,7 +307,7 @@ contains subroutine read_double(self, buffer, name, group, collect) - real(8), intent(inout) :: buffer ! read data to here + real(8), intent(inout) :: buffer ! read data to here character(*), intent(in) :: name ! name for data character(*), intent(in), optional :: group ! HDF5 group name logical, intent(in), optional :: collect ! collective I/O @@ -342,7 +342,7 @@ contains # ifdef MPI if (self % serial) then call hdf5_read_double(self % hdf5_grp, name_, buffer) - else + else call hdf5_read_double_parallel(self % hdf5_grp, name_, buffer, collect_) end if # else @@ -621,7 +621,7 @@ contains subroutine write_double_3Darray(self, buffer, name, group, length, collect) integer, intent(in) :: length(3) ! length of each dimension - real(8), intent(in) :: buffer(length(1),length(2),length(3)) + real(8), intent(in) :: buffer(length(1),length(2),length(3)) character(*), intent(in) :: name ! name of data character(*), intent(in), optional :: group ! HDF5 group name logical, intent(in), optional :: collect ! collective I/O @@ -684,7 +684,7 @@ contains subroutine read_double_3Darray(self, buffer, name, group, length, collect) integer, intent(in) :: length(3) ! length of each dimension - real(8), intent(inout) :: buffer(length(1),length(2),length(3)) + real(8), intent(inout) :: buffer(length(1),length(2),length(3)) character(*), intent(in) :: name ! name of data character(*), intent(in), optional :: group ! HDF5 group name logical, intent(in), optional :: collect ! collective I/O @@ -940,7 +940,7 @@ contains subroutine read_integer(self, buffer, name, group, collect) - integer, intent(inout) :: buffer ! read data to here + integer, intent(inout) :: buffer ! read data to here character(*), intent(in) :: name ! name for data character(*), intent(in), optional :: group ! HDF5 group name logical, intent(in), optional :: collect ! collective I/O @@ -1174,7 +1174,7 @@ contains ! Check if HDF5 group should be closed if (present(group)) call hdf5_close_group(self % hdf5_grp) #elif MPI - if (self % serial) then + if (self % serial) then write(self % unit_fh) buffer(1:length(1),1:length(2)) else call mpi_write_integer_2Darray(self % unit_fh, buffer, length, collect_) @@ -1255,7 +1255,7 @@ contains subroutine write_integer_3Darray(self, buffer, name, group, length, collect) integer, intent(in) :: length(3) ! length of each dimension - integer, intent(in) :: buffer(length(1),length(2),length(3)) + integer, intent(in) :: buffer(length(1),length(2),length(3)) character(*), intent(in) :: name ! name of data character(*), intent(in), optional :: group ! HDF5 group name logical, intent(in), optional :: collect ! collective I/O @@ -1318,7 +1318,7 @@ contains subroutine read_integer_3Darray(self, buffer, name, group, length, collect) integer, intent(in) :: length(3) ! length of each dimension - integer, intent(inout) :: buffer(length(1),length(2),length(3)) + integer, intent(inout) :: buffer(length(1),length(2),length(3)) character(*), intent(in) :: name ! name of data character(*), intent(in), optional :: group ! HDF5 group name logical, intent(in), optional :: collect ! collective I/O @@ -1913,7 +1913,7 @@ contains end if ! Set overall size of vector to write - dims1(1) = n1*n2 + dims1(1) = n1*n2 ! Create up a dataspace for size call h5screate_simple_f(1, dims1, dspace, hdf5_err) @@ -1943,8 +1943,8 @@ contains end do end do -#endif - +#endif + end subroutine write_tally_result !=============================================================================== @@ -2012,8 +2012,8 @@ contains end do end do -#endif - +#endif + end subroutine read_tally_result !=============================================================================== @@ -2027,8 +2027,8 @@ contains #ifdef MPI # ifndef HDF5 integer(MPI_OFFSET_KIND) :: offset ! offset of data - integer :: size_offset_kind ! the data offset kind integer :: size_bank ! size of bank to write + integer :: datatype # endif # ifdef HDF5 integer(8) :: offset(1) ! source data offset @@ -2103,29 +2103,25 @@ contains call h5dclose_f(dset, hdf5_err) call h5sclose_f(dspace, hdf5_err) -# endif +# endif #elif MPI - ! Get current offset for master + ! Get current offset for master if (master) call MPI_FILE_GET_POSITION(self % unit_fh, offset, mpiio_err) ! Determine offset on master process and broadcast to all processors - call MPI_SIZEOF(offset, size_offset_kind, mpi_err) - select case (size_offset_kind) - case (4) - call MPI_BCAST(offset, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, mpi_err) - case (8) - call MPI_BCAST(offset, 1, MPI_INTEGER8, 0, MPI_COMM_WORLD, mpi_err) - end select + call MPI_TYPE_MATCH_SIZE(MPI_TYPECLASS_INTEGER, MPI_OFFSET_KIND, & + datatype, mpi_err) + call MPI_BCAST(offset, 1, datatype, 0, MPI_COMM_WORLD, mpi_err) ! Set the proper offset for source data on this processor call MPI_TYPE_SIZE(MPI_BANK, size_bank, mpi_err) offset = offset + size_bank*work_index(rank) ! Write all source sites - call MPI_FILE_WRITE_AT(self % unit_fh, offset, source_bank(1), work, MPI_BANK, & - MPI_STATUS_IGNORE, mpiio_err) + call MPI_FILE_WRITE_AT(self % unit_fh, offset, source_bank(1), int(work), & + MPI_BANK, MPI_STATUS_IGNORE, mpiio_err) #else @@ -2207,7 +2203,7 @@ contains ! Close all ids call h5dclose_f(dset, hdf5_err) -# endif +# endif #elif MPI @@ -2216,7 +2212,7 @@ contains call MPI_FILE_SEEK(self % unit_fh, offset, MPI_SEEK_END, & mpiio_err) - ! Get current offset (will be at EOF) + ! Get current offset (will be at EOF) call MPI_FILE_GET_POSITION(self % unit_fh, offset, mpiio_err) ! Get the size of the source bank on all procs @@ -2229,8 +2225,8 @@ contains offset = offset + size_bank*work_index(rank) ! Write all source sites - call MPI_FILE_READ_AT(self % unit_fh, offset, source_bank(1), work, MPI_BANK, & - MPI_STATUS_IGNORE, mpiio_err) + call MPI_FILE_READ_AT(self % unit_fh, offset, source_bank(1), int(work), & + MPI_BANK, MPI_STATUS_IGNORE, mpiio_err) #else diff --git a/src/physics.F90 b/src/physics.F90 index 7988970ef4..69bbcff345 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -90,7 +90,7 @@ contains ! change when sampling fission sites. The following block handles all ! absorption (including fission) - if (nuc % fissionable) then + if (nuc % fissionable .and. run_mode == MODE_EIGENVALUE) then call sample_fission(i_nuclide, i_reaction) call create_fission_sites(p, i_nuclide, i_reaction) end if @@ -231,7 +231,7 @@ contains prob = prob + ((ONE - f)*rxn%sigma(i_grid - rxn%threshold + 1) & + f*(rxn%sigma(i_grid - rxn%threshold + 2))) - ! Create fission bank sites if fission occus + ! Create fission bank sites if fission occurs if (prob > cutoff) exit FISSION_REACTION_LOOP end do FISSION_REACTION_LOOP @@ -385,7 +385,7 @@ contains + f*(rxn%sigma(i_grid - rxn%threshold + 2))) end do - ! Perform collision physics for inelastics scattering + ! Perform collision physics for inelastic scattering call inelastic_scatter(nuc, rxn, p % E, p % coord0 % uvw, & p % mu, p % wgt) p % event_MT = rxn % MT @@ -1291,6 +1291,7 @@ contains real(8) :: E_in ! incoming energy real(8) :: E_cm ! outgoing energy in center-of-mass real(8) :: Q ! Q-value of reaction + real(8) :: yield ! neutron yield ! copy energy of neutron E_in = E @@ -1330,8 +1331,13 @@ contains ! change direction of particle uvw = rotate_angle(uvw, mu) - ! change weight of particle based on multiplicity - wgt = rxn % multiplicity * wgt + ! change weight of particle based on yield + if (rxn % multiplicity_with_E) then + yield = interpolate_tab1(rxn % multiplicity_E, E_in) + else + yield = rxn % multiplicity + end if + wgt = yield * wgt end subroutine inelastic_scatter @@ -1572,6 +1578,7 @@ contains real(8) :: E_max ! parameter for n-body dist real(8) :: x, y, v ! intermediate variables for n-body dist real(8) :: r1, r2, r3, r4, r5, r6 + logical :: histogram_interp ! use histogram interpolation on incoming energy ! ========================================================================== ! SAMPLE ENERGY DISTRIBUTION IF THERE ARE MULTIPLE @@ -1668,12 +1675,13 @@ contains NR = int(edist % data(1)) NE = int(edist % data(2 + 2*NR)) if (NR == 1) then - if (master) call warning("Assuming linear-linear interpolation when & - &sampling continuous tabular distribution") + histogram_interp = (edist % data(3) == 1) else if (NR > 1) then ! call write_particle_restart(p) call fatal_error("Multiple interpolation regions not supported while & &attempting to sample continuous tabular distribution.") + else + histogram_interp = .false. end if ! find energy bin and calculate interpolation factor -- if the energy is @@ -1693,11 +1701,15 @@ contains end if ! Sample between the ith and (i+1)th bin - r2 = prn() - if (r > r2) then - l = i + 1 - else + if (histogram_interp) then l = i + else + r2 = prn() + if (r > r2) then + l = i + 1 + else + l = i + end if end if ! interpolation for energy E1 and EK @@ -1776,10 +1788,12 @@ contains end if ! Now interpolate between incident energy bins i and i + 1 - if (l == i) then - E_out = E_1 + (E_out - E_i_1)*(E_K - E_1)/(E_i_K - E_i_1) - else - E_out = E_1 + (E_out - E_i1_1)*(E_K - E_1)/(E_i1_K - E_i1_1) + if (.not. histogram_interp) then + if (l == i) then + E_out = E_1 + (E_out - E_i_1)*(E_K - E_1)/(E_i_K - E_i_1) + else + E_out = E_1 + (E_out - E_i1_1)*(E_K - E_1)/(E_i1_K - E_i1_1) + end if end if case (5) @@ -1832,14 +1846,15 @@ contains lc = 2 + 2*NR + 2*NE U = edist % data(lc + 1) + y = (E_in - U)/T + v = 1 - exp(-y) + ! sample outgoing energy based on evaporation spectrum probability ! density function n_sample = 0 do - r1 = prn() - r2 = prn() - E_out = -T * log(r1*r2) - if (E_out <= E_in - U) exit + x = -log((1 - v*prn())*(1 - v*prn())) + if (x <= y) exit ! check for large number of rejections n_sample = n_sample + 1 @@ -1849,6 +1864,8 @@ contains end if end do + E_out = x*T + case (11) ! ======================================================================= ! ENERGY-DEPENDENT WATT SPECTRUM diff --git a/src/plot.F90 b/src/plot.F90 index ddc4641b2a..d9f6b55e2b 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -272,11 +272,11 @@ contains outrange(1) = int(frac * real(img % width, 8)) frac = (xyz_ur(outer) - xyz_ll_plot(outer)) / width(outer) outrange(2) = int(frac * real(img % width, 8)) - - frac = (xyz_ll(inner) - xyz_ll_plot(inner)) / width(inner) - inrange(1) = int(frac * real(img % height, 8)) + frac = (xyz_ur(inner) - xyz_ll_plot(inner)) / width(inner) - inrange(2) = int(frac * real(img % height, 8)) + inrange(1) = int((1. - frac) * real(img % height, 8)) + frac = (xyz_ll(inner) - xyz_ll_plot(inner)) / width(inner) + inrange(2) = int((1. - frac) * real(img % height, 8)) ! draw lines do out_ = outrange(1), outrange(2) diff --git a/src/relaxng/geometry.rnc b/src/relaxng/geometry.rnc index 62827f04c1..e93c8a9a83 100644 --- a/src/relaxng/geometry.rnc +++ b/src/relaxng/geometry.rnc @@ -30,6 +30,6 @@ element geometry { (element lower_left { list { xsd:double+ } } | attribute lower_left { list { xsd:double+ } }) & (element width { list { xsd:double+ } } | attribute width { list { xsd:double+ } }) & (element universes { list { xsd:int+ } } | attribute universes { list { xsd:int+ } }) & - (element outside { xsd:int } | attribute outside { xsd:int })? + (element outer { xsd:int } | attribute outer { xsd:int })? }* } diff --git a/src/relaxng/settings.rnc b/src/relaxng/settings.rnc index 707ecbbc80..a7b92e1738 100644 --- a/src/relaxng/settings.rnc +++ b/src/relaxng/settings.rnc @@ -3,19 +3,19 @@ element settings { ( element eigenvalue { - (element batches { xsd:positiveInteger } | + (element batches { xsd:positiveInteger } | attribute batches { xsd:positiveInteger }) & - (element inactive { xsd:nonNegativeInteger } | + (element inactive { xsd:nonNegativeInteger } | attribute inactive { xsd:nonNegativeInteger }) & - (element particles { xsd:positiveInteger } | + (element particles { xsd:positiveInteger } | attribute particles { xsd:positiveInteger }) & - (element generations_per_batch { xsd:positiveInteger } | + (element generations_per_batch { xsd:positiveInteger } | attribute generations_per_batch { xsd:positiveInteger })? } | element fixed_source { - (element batches { xsd:positiveInteger } | + (element batches { xsd:positiveInteger } | attribute batches { xsd:positiveInteger }) & - (element particles { xsd:positiveInteger } | + (element particles { xsd:positiveInteger } | attribute particles { xsd:positiveInteger }) } ) & @@ -27,17 +27,19 @@ element settings { (element weight_avg { xsd:double } | attribute weight_avg { xsd:double })? }? & - element energy_grid { ( "nuclide" | "union" | "lethargy" ) }? & + element energy_grid { ( "nuclide" | "log" | "logarithm" | "logarithmic" ) }? & element entropy { - (element dimension { list { xsd:int+ } } | + (element dimension { list { xsd:int+ } } | attribute dimension { list { xsd:int+ } })? & - (element lower_left { list { xsd:double+ } } | + (element lower_left { list { xsd:double+ } } | attribute lower_left { list { xsd:double+ } }) & - (element upper_right { list { xsd:double+ } } | + (element upper_right { list { xsd:double+ } } | attribute upper_right { list { xsd:double+ } }) }? & + element log_grid_bins { xsd:positiveInteger }? & + element natural_elements { xsd:string { maxLength = "20" } }? & element no_reduce { xsd:boolean }? & @@ -93,7 +95,7 @@ element settings { ( (element batches { list { xsd:positiveInteger+ } } | attribute batches { list { xsd:positiveInteger+ } }) | - (element interval { xsd:positiveInteger } | + (element interval { xsd:positiveInteger } | attribute interval { xsd:positiveInteger }) ) }? & @@ -102,12 +104,12 @@ element settings { ( (element batches { list { xsd:positiveInteger+ } } | attribute batches { list { xsd:positiveInteger+ } }) | - (element interval { xsd:positiveInteger } | + (element interval { xsd:positiveInteger } | attribute interval { xsd:positiveInteger }) )? & - (element separate { xsd:boolean } | + (element separate { xsd:boolean } | attribute separate { xsd:boolean })? & - (element write { xsd:boolean } | + (element write { xsd:boolean } | attribute write { xsd:boolean })? & (element overwrite_latest { xsd:boolean} | attribute overwrite_latest {xsd:boolean})? @@ -124,11 +126,11 @@ element settings { element verbosity { xsd:positiveInteger }? & element uniform_fs{ - (element dimension { list { xsd:positiveInteger+ } } | + (element dimension { list { xsd:positiveInteger+ } } | attribute dimension { list { xsd:positiveInteger+ } }) & - (element lower_left { list { xsd:double+ } } | + (element lower_left { list { xsd:double+ } } | attribute lower_left { list { xsd:double+ } }) & - (element upper_right { list { xsd:double+ } } | + (element upper_right { list { xsd:double+ } } | attribute upper_right { list { xsd:double+ } }) }? & diff --git a/src/solver_interface.F90 b/src/solver_interface.F90 index 043b3fd116..9673684063 100644 --- a/src/solver_interface.F90 +++ b/src/solver_interface.F90 @@ -7,6 +7,7 @@ module solver_interface #ifdef PETSC use petscksp use petscsnes +# include #endif implicit none @@ -67,6 +68,11 @@ module solver_interface #ifdef PETSC integer :: petsc_err ! petsc error code + +! Checks for PETSc version to handle 3.5 changes +# if (PETSC_VERSION_MAJOR == 3) && (PETSC_VERSION_MINOR > 4) +# define PETSC_GREATER_34 +# endif #endif contains @@ -85,8 +91,13 @@ contains real(8) :: atol = 1.0e-10_8 call KSPCreate(PETSC_COMM_WORLD, self % ksp_, petsc_err) +#ifdef PETSC_GREATER_34 + call KSPSetTolerances(self % ksp_, rtol, atol, & + PETSC_DEFAULT_REAL, PETSC_DEFAULT_INTEGER, petsc_err) +#else call KSPSetTolerances(self % ksp_, rtol, atol, & PETSC_DEFAULT_DOUBLE_PRECISION, PETSC_DEFAULT_INTEGER, petsc_err) +#endif call KSPSetType(self % ksp_, 'gmres', petsc_err) call KSPSetInitialGuessNonzero(self % ksp_, PETSC_TRUE, petsc_err) call KSPGetPC(self % ksp_, self % pc_, petsc_err) @@ -105,8 +116,13 @@ contains type(Matrix), intent(inout) :: prec_mat ! preconditioner matrix type(Matrix), intent(inout) :: mat_in ! coefficient matrix +#ifdef PETSC_GREATER_34 + call KSPSetOperators(self % ksp_, mat_in % petsc_mat, prec_mat % petsc_mat, & + petsc_err) +#else call KSPSetOperators(self % ksp_, mat_in % petsc_mat, prec_mat % petsc_mat, & SAME_NONZERO_PATTERN, petsc_err) +#endif call KSPSetUp(self % ksp_, petsc_err) end subroutine petsc_gmres_set_oper @@ -259,17 +275,25 @@ contains ! PETSC_JFNK_COMPUTE_JACOBIAN buffer routine to user specified jacobian routine !=============================================================================== +#ifdef PETSC_GREATER_34 + subroutine petsc_jfnk_compute_jacobian(snes_, x, jac_mf, jac_prec, & + ctx, ierr) +#else subroutine petsc_jfnk_compute_jacobian(snes_, x, jac_mf, jac_prec, flag, & ctx, ierr) +#endif type(snes), intent(inout) :: snes_ ! PETSc snes instance type(vec), intent(inout) :: x ! PETSc solution vector type(mat), intent(inout) :: jac_mf ! PETSc matrix free jacobian type(mat), intent(inout) :: jac_prec ! PETSc matrix jacobian precond. - integer, intent(inout) :: flag ! unused madatory flag type(Jfnk_ctx), intent(inout) :: ctx ! JFNK context instance integer, intent(inout) :: ierr ! error code +#ifndef PETSC_GREATER_34 + integer, intent(inout) :: flag ! unused madatory flag +#endif + type(Vector) :: xvec ! solution vector ! Again, we use the vector that comes from Petsc to build the Jacobian diff --git a/src/source.F90 b/src/source.F90 index 07c1bfb411..3a12a3f718 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -211,6 +211,9 @@ contains case (SRC_ENERGY_MONO) ! Monoenergtic source site % E = external_source % params_energy(1) + if (site % E >= 20) then + call fatal_error("Source energies above 20 MeV not allowed.") + end if case (SRC_ENERGY_MAXWELL) a = external_source % params_energy(1) diff --git a/src/state_point.F90 b/src/state_point.F90 index 658941fee7..9d7818f2e1 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -50,6 +50,10 @@ contains type(ElemKeyValueII), pointer :: next => null() type(ElemKeyValueCI), pointer :: cur_nuclide => null() type(ElemKeyValueCI), pointer :: next_nuclide => null() + character(8) :: moment_name ! name of moment (e.g, P3) + integer :: n_order ! loop index for moment orders + integer :: nm_order ! loop index for Ynm moment orders + ! Set filename for state point filename = trim(path_output) // 'statepoint.' // & & zero_padded(current_batch, count_digits(n_batches)) @@ -292,9 +296,44 @@ contains call sp % write_data(tally % score_bins, "score_bins", & group="tallies/tally " // trim(to_str(tally % id)), & length=tally % n_score_bins) - call sp % write_data(tally % moment_order, "moment_order", & - group="tallies/tally " // trim(to_str(tally % id)), & - length=tally % n_score_bins) + call sp % write_data(tally % n_user_score_bins, "n_user_score_bins", & + group="tallies/tally " // to_str(i)) + + ! Write explicit moment order strings for each score bin + k = 1 + MOMENT_LOOP: do j = 1, tally % n_user_score_bins + select case(tally % score_bins(k)) + case (SCORE_SCATTER_N, SCORE_NU_SCATTER_N) + moment_name = 'P' // to_str(tally % moment_order(k)) + call sp % write_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN) + do n_order = 0, tally % moment_order(k) + moment_name = 'P' // trim(to_str(n_order)) + call sp % write_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + end do + case (SCORE_SCATTER_YN, SCORE_NU_SCATTER_YN, SCORE_FLUX_YN, & + SCORE_TOTAL_YN) + do n_order = 0, tally % moment_order(k) + do nm_order = -n_order, n_order + moment_name = 'Y' // trim(to_str(n_order)) // ',' // & + trim(to_str(nm_order)) + call sp % write_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + end do + end do + case default + moment_name = '' + call sp % write_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + end select + + end do MOMENT_LOOP end do TALLY_METADATA @@ -625,6 +664,9 @@ contains real(8), allocatable :: temp_real_array(:) type(StructuredMesh), pointer :: mesh => null() type(TallyObject), pointer :: tally => null() + integer :: n_order ! loop index for moment orders + integer :: nm_order ! loop index for Ynm moment orders + character(8) :: moment_name ! name of moment (e.g, P3, Y-1,1) ! Write message call write_message("Loading state point " // trim(path_state_point) & @@ -839,17 +881,46 @@ contains tally % nuclide_bins(j) = temp_array(j) end if end do NUCLIDE_LOOP - deallocate(temp_array) + ! Write number of score bins, score bins, user score bins call sp % read_data(tally % n_score_bins, "n_score_bins", & - group="tallies/tally " // trim(to_str(curr_key))) + group="tallies/tally " // to_str(i)) call sp % read_data(tally % score_bins, "score_bins", & - group="tallies/tally " // trim(to_str(curr_key)), & - length=tally % n_score_bins) - call sp % read_data(tally % moment_order, "moment_order", & - group="tallies/tally " // trim(to_str(curr_key)), & - length=tally % n_score_bins) + group="tallies/tally " // to_str(i), length=tally % n_score_bins) + call sp % read_data(tally % n_user_score_bins, "n_user_score_bins", & + group="tallies/tally " // to_str(i)) + + ! Read explicit moment order strings for each score bin + k = 1 + MOMENT_LOOP: do j = 1, tally % n_user_score_bins + select case(tally % score_bins(k)) + case (SCORE_SCATTER_N, SCORE_NU_SCATTER_N) + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + case (SCORE_SCATTER_PN, SCORE_NU_SCATTER_PN) + do n_order = 0, tally % moment_order(k) + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + end do + case (SCORE_SCATTER_YN, SCORE_NU_SCATTER_YN, SCORE_FLUX_YN, & + SCORE_TOTAL_YN) + do n_order = 0, tally % moment_order(k) + do nm_order = -n_order, n_order + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + end do + end do + case default + call sp % read_data(moment_name, "order" // trim(to_str(k)), & + group="tallies/tally " // trim(to_str(i)) // "/moments") + k = k + 1 + end select + + end do MOMENT_LOOP end do TALLY_METADATA diff --git a/src/string.F90 b/src/string.F90 index cff69bb16e..5071493f80 100644 --- a/src/string.F90 +++ b/src/string.F90 @@ -148,7 +148,7 @@ contains end function concatenate !=============================================================================== -! LOWER_CASE converts a string to all lower case characters +! TO_LOWER converts a string to all lower case characters !=============================================================================== elemental function to_lower(word) result(word_lower) @@ -171,7 +171,7 @@ contains end function to_lower !=============================================================================== -! UPPER_CASE converts a string to all upper case characters +! TO_UPPER converts a string to all upper case characters !=============================================================================== elemental function to_upper(word) result(word_upper) diff --git a/src/tally.F90 b/src/tally.F90 index 7c7747ff51..c96f1ecd6e 100644 --- a/src/tally.F90 +++ b/src/tally.F90 @@ -1837,8 +1837,10 @@ contains p % coord % universe, i_tally) case (FILTER_MATERIAL) - matching_bins(i) = get_next_bin(FILTER_MATERIAL, & - p % material, i_tally) + if (p % material /= MATERIAL_VOID) then + matching_bins(i) = get_next_bin(FILTER_MATERIAL, & + p % material, i_tally) + endif case (FILTER_CELL) ! determine next cell bin diff --git a/src/utils/openmc/statepoint.py b/src/utils/openmc/statepoint.py index d63ba4395f..c3a09c0b5c 100644 --- a/src/utils/openmc/statepoint.py +++ b/src/utils/openmc/statepoint.py @@ -374,21 +374,34 @@ class StatePoint(object): scores = [SCORE_TYPES[j] for j in self._get_int( n_score_bins, path='{0}{1}/score_bins'.format(base, tally_key))] + n_user_scores = self._get_int( + path='{0}{1}/n_user_score_bins'.format(base, tally_key))[0] - # Read the scattering moment order for all scores - scatt_order = self._get_int( - n_score_bins, path='{0}{1}/moment_order'.format(base, tally_key)) + # Read scattering moment order strings (e.g., P3, Y-1,2, etc.) + moments = list() + base += '{0}/moments/'.format(tally_key) + + # Extract the moment order string for each score + for k in range(len(scores)): + moment = self._get_string(8, + path='{0}order{1}'.format(base, k+1)) + moment = moment.lstrip('[\'') + moment = moment.rstrip('\']') + + # Remove extra whitespace + moment.replace(" ", "") + moments.append(moment) # Add the scores to the Tally for j, score in enumerate(scores): # If this is a scattering moment, insert the scattering order if '-n' in score: - score = score.replace('-n', '-' + str(scatt_order[j])) + score = score.replace('-n', '-' + str(moments[j])) elif '-pn' in score: - score = score.replace('-pn', '-p' + str(scatt_order[j])) + score = score.replace('-pn', '-' + str(moments[j])) elif '-yn' in score: - score = score.replace('-yn', '-y' + str(scatt_order[j])) + score = score.replace('-yn', '-' + str(moments[j])) tally.add_score(score) diff --git a/src/utils/openmc/summary.py b/src/utils/openmc/summary.py index 0f371035a6..e9635b1740 100644 --- a/src/utils/openmc/summary.py +++ b/src/utils/openmc/summary.py @@ -353,7 +353,7 @@ class Summary(object): width = self._f['geometry/lattices'][key]['width'][...] dimension = self._f['geometry/lattices'][key]['dimension'][...] lower_left = self._f['geometry/lattices'][key]['lower_left'][...] - outside = self._f['geometry/lattices'][key]['outside'][0] + outer = self._f['geometry/lattices'][key]['outer'][0] universe_ids = self._f['geometry/lattices'][key]['universes'][...] universe_ids = np.swapaxes(universe_ids, 0, 1) @@ -381,9 +381,9 @@ class Summary(object): universes = universes[:,::-1,:] lattice.set_universes(universes) - # If the Material specified outside the Lattice is not void (-1) - if outside != -1: - lattice.set_outside(self.materials[outside]) + # If the Universe specified outer the Lattice is not void (-22) + if outer != -22: + lattice.set_outer(self.universes[outer]) # Add the Lattice to the global dictionary of all Lattices self.lattices[index] = lattice diff --git a/src/utils/openmc/tallies.py b/src/utils/openmc/tallies.py index a8b66e038b..50b2888c94 100644 --- a/src/utils/openmc/tallies.py +++ b/src/utils/openmc/tallies.py @@ -699,24 +699,6 @@ class Tally(object): 'string'.format(score, self._id) raise ValueError(msg) - elif 'scatter-' in score: - - moment = score.split('-')[-1] - - if 'p' in moment.lower() or 'y' in moment.lower(): - moment = moment[1:] - - if int(moment) < 0 or int(moment) > 10: - msg = 'Unable to add score {0} to Tally ID={1} since OpenMC ' \ - 'can only tally the scattering moments between 0 and ' \ - '10'.format(score, self._id) - raise ValueError(msg) - - elif not score in SCORE_TYPES.values(): - msg = 'Unable to add score {0} to Tally ID={1} since it is not a ' \ - 'supported score in OpenMC'.format(score, self._id) - raise ValueError(msg) - # If the score is already in the Tally, don't add it again if score in self._scores: return @@ -1250,4 +1232,4 @@ class TalliesFile(object): # Write the XML Tree to the tallies.xml file tree = ET.ElementTree(self._tallies_file) tree.write("tallies.xml", xml_declaration=True, - encoding='utf-8', method="xml") \ No newline at end of file + encoding='utf-8', method="xml") diff --git a/src/utils/openmc/universe.py b/src/utils/openmc/universe.py index ef20907f19..13512547d6 100644 --- a/src/utils/openmc/universe.py +++ b/src/utils/openmc/universe.py @@ -570,7 +570,7 @@ class Lattice(object): self._dimension = None self._lower_left = None self._width = None - self._outside = None + self._outer = None self._universes = None self._offsets = None @@ -714,14 +714,14 @@ class Lattice(object): self._width = width - def set_outside(self, outside): + def set_outer(self, outer): - if not isinstance(outside, (Universe, openmc.Material)): - msg = 'Unable to set Lattice ID={0} outside universe to {1} ' \ - 'since it is not a Universe object'.format(self._id, outside) + if not isinstance(outer, Universe): + msg = 'Unable to set Lattice ID={0} outer universe to {1} ' \ + 'since it is not a Universe object'.format(self._id, outer) raise ValueError(msg) - self._outside = outside + self._outer = outer def set_universes(self, universes): @@ -833,12 +833,12 @@ class Lattice(object): self._lower_left) string += '{0: <16}{1}{2}\n'.format('\tWidth', '=\t', self._width) - if self._outside is not None: - string += '{0: <16}{1}{2}\n'.format('\tOutside', '=\t', - self._outside._id) + if self._outer is not None: + string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', + self._outer._id) else: - string += '{0: <16}{1}{2}\n'.format('\tOutside', '=\t', - self._outside) + string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', + self._outer) string += '{0: <16}\n'.format('\tUniverses') @@ -916,10 +916,10 @@ class Lattice(object): width.text = '{0} {1}'.format(self._width[0], \ self._width[1]) - # Export the Lattice outside Universe (if specified) - if self._outside is not None: - outside = ET.SubElement(lattice_subelement, "outside") - outside.text = '{0}'.format(self._outside._id) + # Export the Lattice outer Universe (if specified) + if self._outer is not None: + outer = ET.SubElement(lattice_subelement, "outer") + outer.text = '{0}'.format(self._outer._id) # Export the Lattice nested Universe IDs - column major for Fortran universe_ids = '\n' diff --git a/src/utils/update_inputs.py b/src/utils/update_inputs.py new file mode 100755 index 0000000000..cd6f98b63c --- /dev/null +++ b/src/utils/update_inputs.py @@ -0,0 +1,232 @@ +#!/usr/bin/env python +"""Update OpenMC's input XML files to the latest format. + +Usage information can be obtained by running 'update_inputs.py --help': + +usage: update_lattices.py [-h] IN [IN ...] + +Update lattices in geometry.xml files to the latest format. This will remove +'outside' attributes/elements and replace them with 'outer' attributes. Note +that this script will not delete the given files; it will append '.original' +to the given files and write new ones. + +positional arguments: + IN Input geometry.xml file(s). + +optional arguments: + -h, --help show this help message and exit + +""" + +from __future__ import print_function + +import argparse +from random import randint +from shutil import move +import xml.etree.ElementTree as ET + + +description = "Update OpenMC's input XML files to the latest format." +epilog = """\ +If any of the given files do not match the most up-to-date formatting, then they +will be automatically rewritten. The old out-of-date files will not be deleted; +they will be moved to a new file with '.original' appended to their name. + +Formatting changes that will be made: + +geometry.xml: Lattices containing 'outside' attributes/tags will be replaced + with lattices containing 'outer' attributes, and the appropriate + cells/universes will be added. +""" + + +def parse_args(): + """Read the input files from the commandline.""" + # Create argument parser. + parser = argparse.ArgumentParser( + description=description, + epilog=epilog, + formatter_class=argparse.RawTextHelpFormatter) + parser.add_argument('input', metavar='IN', type=str, nargs='+', + help='Input geometry.xml file(s).') + + # Parse and return commandline arguments. + return parser.parse_args() + + +def get_universe_ids(geometry_root): + """Return a set of universe id numbers.""" + root = geometry_root + out = {0} + + # Get the ids of universes defined by cells. + for cell in root.iter('cell'): + # Get universe attributes. + if 'universe' in cell.attrib: + uid = cell.attrib['universe'] + out.add(int(uid)) + + # Get universe elements. + elif cell.find('universe') is not None: + elem = cell.find('universe') + uid = elem.text + out.add(int(uid)) + + # Get the ids of universes defined by lattices. + for lat in root.iter('lattice'): + # Get id attributes. + if 'id' in lat.attrib: + uid = lat.attrib['id'] + out.add(int(uid)) + + # Get id elements. + elif lat.find('id') is not None: + elem = lat.find('id') + uid = elem.text + out.add(int(uid)) + + return out + + +def get_cell_ids(geometry_root): + """Return a set of cell id numbers.""" + root = geometry_root + out = set() + + # Get the ids of universes defined by cells. + for cell in root.iter('cell'): + # Get id attributes. + if 'id' in cell.attrib: + cid = cell.attrib['id'] + out.add(int(cid)) + + # Get id elements. + elif cell.find('id') is not None: + elem = cell.find('id') + cid = elem.text + out.add(int(cid)) + + return out + + +def find_new_id(current_ids, preferred=None): + """Return a new id that is not already present in current_ids.""" + distance_from_preferred = 21 + max_random_attempts = 10000 + + # First, try to find an id near the preferred number. + if preferred is not None: + assert isinstance(preferred, int) + for i in range(1, distance_from_preferred): + if (preferred - i not in current_ids) and (preferred - i > 0): + return preferred - i + if (preferred + i not in current_ids) and (preferred + i > 0): + return preferred + i + + # If that was unsuccessful, attempt to randomly guess a new id number. + for i in range(max_random_attempts): + num = randint(1, 2147483647) + if num not in current_inds: + return num + + # Raise an error if an id was not found. + raise RuntimeError('Could not find a unique id number for a new universe.') + + +def get_lat_id(lattice_element): + """Return the id integer of the lattice_element.""" + assert isinstance(lattice_element, ET.Element) + if 'id' in lattice_element.attrib: + return int(lattice_element.attrib['id'].strip()) + elif any([child.tag == 'id' for child in lattice_element]): + elem = lattice_element.find('id') + return int(elem.text.strip()) + else: + raise RuntimeError('Could not find the id for a lattice.') + + +def pop_lat_outside(lattice_element): + """Return lattice's outside material and remove from attributes/elements.""" + assert isinstance(lattice_element, ET.Element) + + # Check attributes. + if 'outside' in lattice_element.attrib: + material = lattice_element.attrib['outside'].strip() + del lattice_element.attrib['outside'] + + # Check subelements. + elif any([child.tag == 'outside' for child in lattice_element]): + elem = lattice_element.find('outside') + material = elem.text.strip() + lattice_element.remove(elem) + + # No 'outside' specified. This means the outside is a void. + else: + material = 'void' + + return material + + +def update_geometry(geometry_root): + """Update the given XML geometry tree. Return True if changes were made.""" + root = geometry_root + was_updated = False + + # Ignore files that do not contain lattices. + if all([child.tag != 'lattice' for child in root]): return False + + # Get a set of already-used universe and cell ids. + uids = get_universe_ids(root) + cids = get_cell_ids(root) + taken_ids = uids.union(cids) + + # Update the definitions of each lattice + for lat in root.iter('lattice'): + # Get the lattice's id. + lat_id = get_lat_id(lat) + + # Ignore lattices that have 'outer' specified. + if any([child.tag == 'outer' for child in lat]): continue + + # Pop the 'outside' material. + material = pop_lat_outside(lat) + + # Get an id number for a new outer universe. Ideally, the id should + # be close to the lattice's id. + new_uid = find_new_id(taken_ids, preferred=lat_id) + assert new_uid not in taken_ids + + # Add the new universe filled with the old 'outside' material to the + # geometry. + new_cell = ET.Element('cell') + new_cell.attrib['id'] = str(new_uid) + new_cell.attrib['universe'] = str(new_uid) + new_cell.attrib['material'] = material + root.append(new_cell) + taken_ids.add(new_uid) + + # Add the new universe to the lattice's 'outer' attribute. + lat.attrib['outer'] = str(new_uid) + + was_updated = True + + return was_updated + + +if __name__ == '__main__': + args = parse_args() + for fname in args.input: + # Parse the XML data. + tree = ET.parse(fname) + root = tree.getroot() + was_updated = False + + if root.tag == 'geometry': + was_updated = update_geometry(root) + + if was_updated: + # Move the original geometry file to preserve it. + move(fname, fname + '.original') + + # Write a new geometry file. + tree.write(fname) diff --git a/tests/run_tests.py b/tests/run_tests.py index cad3731e2a..661f8c50a4 100755 --- a/tests/run_tests.py +++ b/tests/run_tests.py @@ -42,10 +42,10 @@ parser.add_option("-s", "--script", action="store_true", dest="script", # Default compiler paths FC='gfortran' -MPI_DIR='/opt/mpich/3.1-gnu' -HDF5_DIR='/opt/hdf5/1.8.12-gnu' -PHDF5_DIR='/opt/phdf5/1.8.12-gnu' -PETSC_DIR='/opt/petsc/3.4.4-gnu' +MPI_DIR='/opt/mpich/3.1.3-gnu' +HDF5_DIR='/opt/hdf5/1.8.14-gnu' +PHDF5_DIR='/opt/phdf5/1.8.14-gnu' +PETSC_DIR='/opt/petsc/3.5.2-gnu' # Script mode for extra capability script_mode = False diff --git a/tests/test_filter_cell/results_true.dat b/tests/test_filter_cell/results_true.dat index 42c42c7bb3..0a1924c5d7 100644 --- a/tests/test_filter_cell/results_true.dat +++ b/tests/test_filter_cell/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: 0.000000E+00 0.000000E+00 -1.161117E+01 -2.754585E+01 -2.434414E+00 -1.211549E+00 -3.447929E+01 -2.424749E+02 +1.517577E+01 +4.747271E+01 +3.151504E+00 +2.051857E+00 +4.536316E+01 +4.258781E+02 diff --git a/tests/test_filter_cellborn/results_true.dat b/tests/test_filter_cellborn/results_true.dat index 583754866b..ad682dab5d 100644 --- a/tests/test_filter_cellborn/results_true.dat +++ b/tests/test_filter_cellborn/results_true.dat @@ -1,10 +1,10 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: 0.000000E+00 0.000000E+00 -5.474596E+01 -6.113816E+02 +7.449502E+01 +1.145793E+03 0.000000E+00 0.000000E+00 0.000000E+00 diff --git a/tests/test_filter_energy/results_true.dat b/tests/test_filter_energy/results_true.dat index 8b51c141d9..81702c8140 100644 --- a/tests/test_filter_energy/results_true.dat +++ b/tests/test_filter_energy/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -2.878078E+01 -1.706092E+02 -4.244509E+01 -3.618897E+02 -5.296331E+01 -5.632082E+02 -9.415257E+00 -1.798132E+01 +2.687671E+01 +1.475192E+02 +4.148025E+01 +3.443331E+02 +5.223662E+01 +5.466362E+02 +1.050254E+01 +2.218108E+01 diff --git a/tests/test_filter_energyout/results_true.dat b/tests/test_filter_energyout/results_true.dat index 20ae8fddf9..a0bef87798 100644 --- a/tests/test_filter_energyout/results_true.dat +++ b/tests/test_filter_energyout/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -2.904000E+01 -1.735606E+02 -4.173000E+01 -3.504547E+02 -5.212000E+01 -5.450908E+02 -6.720000E+00 -9.287600E+00 +2.740000E+01 +1.516786E+02 +4.163000E+01 +3.469463E+02 +5.041000E+01 +5.097599E+02 +6.990000E+00 +9.850700E+00 diff --git a/tests/test_filter_group_transfer/results_true.dat b/tests/test_filter_group_transfer/results_true.dat index 6028dc5aa6..d91e385fd4 100644 --- a/tests/test_filter_group_transfer/results_true.dat +++ b/tests/test_filter_group_transfer/results_true.dat @@ -1,54 +1,54 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 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+2.580055E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -57,11 +57,11 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -3.360000E+00 -2.261200E+00 -9.440731E-02 -2.296476E-03 -6.720000E+00 -9.287600E+00 -2.970043E-01 -1.889985E-02 +3.530000E+00 +2.494900E+00 +1.572766E-01 +5.137814E-03 +6.990000E+00 +9.850700E+00 +3.134136E-01 +2.138680E-02 diff --git a/tests/test_filter_material/results_true.dat b/tests/test_filter_material/results_true.dat index 82f5b6604e..d10924cc15 100644 --- a/tests/test_filter_material/results_true.dat +++ b/tests/test_filter_material/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -2.808405E+01 -1.583153E+02 -6.600217E+00 -8.758087E+00 -4.213245E+01 -3.587283E+02 -5.251451E+01 -5.539717E+02 +2.819256E+01 +1.591068E+02 +6.599750E+00 +8.721650E+00 +5.383171E+01 +5.950793E+02 +4.140672E+01 +3.649396E+02 diff --git a/tests/test_filter_mesh_2d/results_true.dat b/tests/test_filter_mesh_2d/results_true.dat index e3779fa2b7..5e11bbaca7 100644 --- a/tests/test_filter_mesh_2d/results_true.dat +++ b/tests/test_filter_mesh_2d/results_true.dat @@ -1,5 +1,5 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: 0.000000E+00 0.000000E+00 @@ -21,12 +21,6 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -1.417913E-01 -2.010478E-02 -2.168719E-02 -4.703344E-04 -1.399852E+00 -1.959586E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -51,16 +45,10 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 +8.751430E-01 +7.658753E-01 0.000000E+00 0.000000E+00 -1.438468E-01 -1.138366E-02 -3.162720E-01 -6.420661E-02 -1.710523E+00 -1.682331E+00 -3.923774E-01 -6.087295E-02 0.000000E+00 0.000000E+00 0.000000E+00 @@ -81,164 +69,180 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -1.708563E-01 -2.919187E-02 -1.388161E-01 -1.926991E-02 0.000000E+00 0.000000E+00 -1.324266E+00 -5.981448E-01 -1.008629E-01 -6.731023E-03 -4.725861E+00 -4.962196E+00 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+2.836882E-01 +8.047901E-02 +5.295973E-02 +2.804733E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -9179,6 +9395,8 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 +7.405305E-01 +5.483854E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -9359,8 +9577,6 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -5.641710E-02 -3.182889E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -9579,222 +9795,6 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -1.316627E-01 -1.733508E-02 -8.604722E-03 -7.404124E-05 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -1.141923E-01 -6.531447E-03 -1.718823E-01 -1.715313E-02 -0.000000E+00 -0.000000E+00 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-0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 diff --git a/tests/test_filter_universe/results_true.dat b/tests/test_filter_universe/results_true.dat index 374dbb66d7..e840d6aac0 100644 --- a/tests/test_filter_universe/results_true.dat +++ b/tests/test_filter_universe/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -4.662954E+01 -4.438569E+02 -5.611503E+00 -6.811745E+00 -6.239246E+01 -7.816240E+02 -7.857315E+00 -1.264975E+01 +6.144371E+01 +7.795909E+02 +7.330533E+00 +1.137816E+01 +4.850651E+01 +4.933509E+02 +5.132453E+00 +5.801019E+00 diff --git a/tests/test_infinite_cell/geometry.xml b/tests/test_infinite_cell/geometry.xml index 77ef6110a9..b16d7f497c 100644 --- a/tests/test_infinite_cell/geometry.xml +++ b/tests/test_infinite_cell/geometry.xml @@ -4,12 +4,13 @@ + width="2.0 2.0" outer="22"> 11 12 12 11 + diff --git a/tests/test_lattice_multiple/results_true.dat b/tests/test_lattice_multiple/results_true.dat index 3b660ab668..f2e3d93c93 100644 --- a/tests/test_lattice_multiple/results_true.dat +++ b/tests/test_lattice_multiple/results_true.dat @@ -1,2 +1,2 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 diff --git a/tests/test_particle_restart_eigval/results.py b/tests/test_particle_restart_eigval/results.py index 02b45f9a8a..3057409bbb 100644 --- a/tests/test_particle_restart_eigval/results.py +++ b/tests/test_particle_restart_eigval/results.py @@ -10,7 +10,7 @@ import particle_restart as pr if len(sys.argv) > 1: p = pr.Particle(sys.argv[1]) else: - p = pr.Particle('particle_12_842.binary') + p = pr.Particle('particle_12_616.binary') # set up output string outstr = '' diff --git a/tests/test_particle_restart_eigval/results_true.dat b/tests/test_particle_restart_eigval/results_true.dat index 378ab800d5..a93cbb27b2 100644 --- a/tests/test_particle_restart_eigval/results_true.dat +++ b/tests/test_particle_restart_eigval/results_true.dat @@ -3,14 +3,14 @@ current batch: current gen: 1.000000E+00 particle id: -8.420000E+02 +6.160000E+02 run mode: 2.000000E+00 particle weight: 1.000000E+00 particle energy: -2.413462E+00 +3.545295E-01 particle xyz: --5.050553E+01 -9.983306E+00 -4.898542E+01 +3.516323E+01 -5.400148E+01 -1.588825E+01 particle uvw: --4.903067E-01 7.971652E-01 -3.523165E-01 +4.129799E-01 7.649720E-01 4.942322E-01 diff --git a/tests/test_particle_restart_eigval/settings.xml b/tests/test_particle_restart_eigval/settings.xml index e6b3756652..c01617e221 100644 --- a/tests/test_particle_restart_eigval/settings.xml +++ b/tests/test_particle_restart_eigval/settings.xml @@ -4,7 +4,7 @@ 12 5 - 1000 + 1200 diff --git a/tests/test_particle_restart_eigval/test_particle_restart_eigval.py b/tests/test_particle_restart_eigval/test_particle_restart_eigval.py index 3afe4861f8..1aa7035658 100644 --- a/tests/test_particle_restart_eigval/test_particle_restart_eigval.py +++ b/tests/test_particle_restart_eigval/test_particle_restart_eigval.py @@ -24,13 +24,13 @@ def test_run(): assert returncode == 0, 'OpenMC did not exit successfully.' def test_created_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_842.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_616.*')) assert len(particle) == 1, 'Either multiple or no particle restart files exist.' assert particle[0].endswith('binary') or \ particle[0].endswith('h5'), 'Particle restart file not a binary or hdf5 file.' def test_results(): - particle = glob.glob(os.path.join(cwd, 'particle_12_842.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_616.*')) call(['python', 'results.py', particle[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: @@ -38,10 +38,10 @@ def test_results(): assert compare, 'Results do not agree.' def test_run_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_842.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_616.*')) proc = Popen([opts.exe, '-r', particle[0], cwd], stderr=STDOUT, stdout=PIPE) print(proc.communicate()[0]) - returncode = proc.returncode + returncode = proc.returncode assert returncode == 0, 'Particle restart not successful.' def teardown(): diff --git a/tests/test_reflective_cone/results_true.dat b/tests/test_reflective_cone/results_true.dat index 0509ab7bfc..60b34bf66b 100644 --- a/tests/test_reflective_cone/results_true.dat +++ b/tests/test_reflective_cone/results_true.dat @@ -1,2 +1,2 @@ k-combined: -2.247735E+00 1.661365E-02 +2.281477E+00 5.206704E-03 diff --git a/tests/test_reflective_cone/settings.xml b/tests/test_reflective_cone/settings.xml index 6823d3c5a2..af56f56368 100644 --- a/tests/test_reflective_cone/settings.xml +++ b/tests/test_reflective_cone/settings.xml @@ -4,7 +4,7 @@ 10 5 - 100 + 1000 diff --git a/tests/test_score_MT/results_true.dat b/tests/test_score_MT/results_true.dat index 996c55a212..91ae452f95 100644 --- a/tests/test_score_MT/results_true.dat +++ b/tests/test_score_MT/results_true.dat @@ -1,5 +1,5 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: 0.000000E+00 0.000000E+00 @@ -9,27 +9,27 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -1.070347E-03 -4.096057E-07 -1.070347E-03 -4.096057E-07 -2.752499E-01 -1.572016E-02 -9.618633E-01 -1.913668E-01 -1.492613E-05 -2.165664E-10 -1.492613E-05 -2.165664E-10 -2.145916E-02 -9.738018E-05 -1.424685E-02 -4.218285E-05 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -3.974077E-05 -3.852650E-10 -5.398592E-02 -6.186431E-04 +1.107640E-02 +4.232516E-05 +1.107640E-02 +4.232516E-05 +3.509526E-01 +2.565440E-02 +1.171523E+00 +2.824070E-01 +5.592851E-04 +1.423656E-07 +5.592851E-04 +1.423656E-07 +3.027322E-02 +1.983924E-04 +1.477313E-02 +4.495633E-05 +8.650696E-08 +7.483455E-15 +8.650696E-08 +7.483455E-15 +1.097403E-04 +3.424171E-09 +6.866942E-02 +9.952916E-04 diff --git a/tests/test_score_absorption/results_true.dat b/tests/test_score_absorption/results_true.dat index 87de5394f7..dfdadbae7a 100644 --- a/tests/test_score_absorption/results_true.dat +++ b/tests/test_score_absorption/results_true.dat @@ -1,20 +1,20 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: 0.000000E+00 0.000000E+00 -1.757191E+00 -6.376509E-01 -1.424302E-02 -4.216201E-05 -2.580900E-01 -1.412525E-02 +2.267589E+00 +1.054691E+00 +1.476133E-02 +4.485759E-05 +3.306896E-01 +2.302248E-02 tally 2: 0.000000E+00 0.000000E+00 -1.880000E+00 -7.122000E-01 -1.000000E-02 -1.000000E-04 -1.800000E-01 -8.600000E-03 +2.290000E+00 +1.070700E+00 +0.000000E+00 +0.000000E+00 +3.800000E-01 +3.820000E-02 diff --git a/tests/test_score_current/results_true.dat b/tests/test_score_current/results_true.dat index 5211f44134..84d1b489cd 100644 --- a/tests/test_score_current/results_true.dat +++ b/tests/test_score_current/results_true.dat @@ -1,5 +1,5 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: 0.000000E+00 0.000000E+00 @@ -2529,4336 +2529,6604 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 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-0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 diff --git a/tests/test_score_events/results_true.dat b/tests/test_score_events/results_true.dat index d57c5aad9c..fd18a5aba1 100644 --- a/tests/test_score_events/results_true.dat +++ b/tests/test_score_events/results_true.dat @@ -1,12 +1,12 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -4.363000E+01 -3.897351E+02 -6.243000E+01 -7.832159E+02 +5.627000E+01 +6.565251E+02 +4.892000E+01 +5.009100E+02 tally 2: -1.189000E+01 -2.882870E+01 -1.708000E+01 -5.859880E+01 +1.458000E+01 +4.391620E+01 +1.269000E+01 +3.363670E+01 diff --git a/tests/test_score_fission/results_true.dat b/tests/test_score_fission/results_true.dat index 086deab4f6..a79228e577 100644 --- a/tests/test_score_fission/results_true.dat +++ b/tests/test_score_fission/results_true.dat @@ -1,20 +1,20 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -7.937979E-01 -1.314653E-01 +1.089685E+00 +2.438289E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.004148E+00 -2.076648E-01 +9.094323E-01 +1.773089E-01 tally 2: -7.878553E-01 -1.260467E-01 +1.081920E+00 +2.404883E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.020127E+00 -2.123887E-01 +9.945760E-01 +2.073005E-01 diff --git a/tests/test_score_flux/results_true.dat b/tests/test_score_flux/results_true.dat index 4a88506f35..ecab5d7fb1 100644 --- a/tests/test_score_flux/results_true.dat +++ b/tests/test_score_flux/results_true.dat @@ -1,15 +1,15 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -2.565436E+01 -1.354321E+02 -8.779444E+00 -1.573694E+01 -4.278858E+01 -3.719602E+02 -3.644585E+01 -2.673612E+02 -1.237524E+01 -3.084236E+01 -6.211066E+01 -7.757387E+02 +3.403102E+01 +2.393236E+02 +1.143060E+01 +2.704386E+01 +5.691243E+01 +6.685581E+02 +2.924945E+01 +1.782032E+02 +9.965051E+00 +2.067319E+01 +4.931805E+01 +5.050490E+02 diff --git a/tests/test_score_flux_yn/results_true.dat b/tests/test_score_flux_yn/results_true.dat index dd93ffec84..9a2d5f3230 100644 --- a/tests/test_score_flux_yn/results_true.dat +++ b/tests/test_score_flux_yn/results_true.dat @@ -1,448 +1,448 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -2.565436E+01 -1.354321E+02 -8.779444E+00 -1.573694E+01 -4.278858E+01 -3.719602E+02 -3.644585E+01 -2.673612E+02 -1.237524E+01 -3.084236E+01 -6.211066E+01 -7.757387E+02 +3.403102E+01 +2.393236E+02 +1.143060E+01 +2.704386E+01 +5.691243E+01 +6.685581E+02 +2.924945E+01 +1.782032E+02 +9.965051E+00 +2.067319E+01 +4.931805E+01 +5.050490E+02 tally 2: -2.565436E+01 -1.354321E+02 --3.983851E-01 -2.352953E-01 -3.471316E-01 -4.392448E-02 --3.396217E-01 -4.529087E-01 --6.349347E-02 -4.786947E-02 -1.407387E-01 -4.410418E-02 --2.149642E-01 -8.240078E-02 -4.165309E-01 -4.037366E-02 --7.949820E-03 -2.473008E-02 --2.530199E-02 -8.071976E-02 --3.405750E-02 -4.161238E-02 -1.309727E-01 -1.035584E-01 -8.414417E-02 -3.865193E-02 -6.569253E-02 -8.289078E-03 -4.190353E-01 -8.555379E-02 -8.809002E-02 -3.101106E-02 -3.088946E-01 -4.054212E-02 --4.904428E-02 -6.656500E-02 -1.158071E-01 -7.719872E-02 --3.694710E-01 -1.216166E-01 -3.406072E-01 -7.772395E-02 --1.721510E-01 -5.707050E-02 --1.714604E-01 -2.363306E-02 -2.483700E-01 -9.122006E-02 -1.176588E-01 -1.568762E-01 --7.697799E-02 -4.854960E-03 -8.679523E-02 -3.340298E-02 -4.014836E-02 -3.871846E-02 -3.499517E-01 -8.728203E-02 -3.360019E-01 -3.868722E-02 --1.762859E-01 -2.800767E-02 --3.753955E-01 -1.281216E-01 -1.101324E-02 -1.439060E-02 -4.302757E-02 -4.203102E-02 --1.721812E-01 -3.953250E-02 --3.065872E-02 -2.025460E-02 -8.779444E+00 -1.573694E+01 --1.798211E-01 -2.458347E-02 -2.362185E-02 -2.448811E-03 --1.606066E-02 -3.365717E-02 -4.268850E-02 -4.543068E-03 -6.714398E-02 -2.327392E-02 --1.311847E-01 -1.732329E-02 -1.532575E-01 -1.873014E-02 --7.715779E-02 -3.727262E-03 -5.292575E-02 -8.731882E-03 -1.308361E-01 -7.041605E-03 -1.186946E-01 -8.593206E-03 -3.295028E-04 -6.881516E-03 --2.553462E-02 -3.576692E-03 -1.530589E-01 -8.579020E-03 -1.665960E-02 -2.561848E-03 -9.246622E-02 -4.409040E-03 --3.782097E-02 -3.787554E-03 -8.720419E-02 -1.807298E-02 --1.299159E-01 -1.352501E-02 --1.089117E-02 -2.262800E-03 --6.108770E-02 -2.720692E-03 --5.611780E-02 -1.606003E-03 -1.344965E-01 -1.166904E-02 -5.196095E-02 -1.974433E-02 --1.579519E-02 -9.844817E-04 -1.102419E-01 -3.853387E-03 --2.203574E-02 -6.721441E-03 -1.423029E-01 -1.104110E-02 -5.596874E-02 -2.795085E-03 -2.150304E-02 -4.785543E-03 --1.287175E-01 -8.882669E-03 --5.634660E-02 -3.647770E-03 --3.043014E-02 -4.059232E-03 --7.426549E-02 -2.865579E-03 -1.819877E-02 -1.701714E-03 -4.278858E+01 -3.719602E+02 --2.541558E-01 -2.279001E-01 -6.537997E-01 -1.228433E-01 --3.816795E-01 -4.318592E-01 --2.004644E-01 -1.576115E-01 --3.122570E-01 -3.346575E-01 --2.695065E-01 -4.408996E-01 -5.344702E-01 -3.408992E-01 --6.262460E-01 -1.418729E-01 -2.291823E-01 -2.378662E-01 -1.519301E-01 -8.662223E-02 -8.592168E-01 -3.746637E-01 -2.371453E-01 -5.839801E-02 -1.945694E-01 -5.218229E-02 -6.349297E-01 -9.557943E-02 -3.032170E-01 -9.494002E-02 -6.848280E-01 -1.795280E-01 -1.476399E-01 -1.224404E-01 -9.399711E-02 -2.748021E-01 --2.405486E-01 -2.894838E-01 -2.042026E-01 -8.650213E-02 --2.383868E-01 -4.311800E-02 -2.703904E-01 -4.396366E-02 -2.261790E-01 -3.123151E-01 -3.253923E-01 -3.510817E-01 --1.175618E-01 -6.287935E-02 -1.936788E-02 -2.641837E-02 --8.020431E-02 -5.963167E-02 -4.230121E-01 -1.414050E-01 -5.524141E-01 -7.852851E-02 -1.962574E-01 -5.237559E-02 --5.111027E-01 -1.525051E-01 --1.338910E-01 -6.915038E-03 --1.650263E-01 -7.374547E-02 --1.075494E-01 -7.396636E-02 --1.059769E-02 -5.082196E-02 -3.644585E+01 -2.673612E+02 -1.059137E-01 -6.438563E-01 --6.444515E-01 -3.933836E-01 --3.014651E-01 -1.208273E-01 -4.494724E-01 -3.271917E-01 --7.259828E-01 -3.159179E-01 --7.698716E-01 -1.351096E-01 -1.073317E-01 -2.549219E-01 -4.983931E-01 -1.968239E-01 -6.710340E-02 -4.032556E-02 -1.230587E-01 -2.707299E-02 -1.802638E-02 -1.438295E-01 -1.733793E-01 -8.074688E-02 -6.054436E-01 -2.073602E-01 --2.361150E-01 -9.962395E-02 -3.071225E-01 -9.373206E-02 -6.285553E-02 -4.520492E-02 --9.657643E-02 -8.890068E-03 --1.358777E-01 -7.818634E-02 --5.482892E-02 -1.514759E-01 -4.356273E-01 -5.751468E-02 --3.332376E-01 -9.204332E-02 -9.252145E-02 -9.082432E-02 -3.397106E-01 -3.718868E-02 -2.383528E-01 -1.249998E-01 -9.459006E-02 -4.743333E-02 -2.791472E-01 -9.473971E-02 -1.840140E-01 -3.511500E-02 --2.404274E-01 -3.667734E-02 --1.850160E-01 -4.090735E-02 --1.803264E-01 -4.789725E-02 -6.902523E-01 -1.271158E-01 --4.675986E-01 -1.577835E-01 -2.244614E-01 -7.193252E-02 -5.644513E-01 -1.552494E-01 -2.668856E-01 -2.757139E-02 -1.237524E+01 -3.084236E+01 --1.935040E-01 -7.843981E-02 -8.037944E-02 -1.991461E-02 --2.158547E-01 -3.484402E-02 -2.365773E-01 -3.715241E-02 --2.103997E-01 -3.907253E-02 --3.684070E-01 -3.058233E-02 -4.225166E-02 -2.489744E-02 -1.106740E-01 -1.150465E-02 -8.071884E-02 -1.331849E-02 -1.368878E-01 -8.258591E-03 -1.841494E-02 -1.603530E-02 -1.992888E-01 -9.415030E-03 -1.959625E-01 -1.937942E-02 -2.902483E-02 -5.299937E-03 -1.550789E-01 -1.141095E-02 -1.022811E-01 -8.602456E-03 --1.983934E-02 -3.835379E-03 -6.859204E-03 -1.228605E-02 --1.512138E-02 -1.732841E-02 -5.532584E-02 -8.476059E-03 --3.765033E-02 -1.288721E-02 -2.227213E-02 -6.771923E-03 -4.959835E-02 -1.747554E-03 -8.575813E-02 -1.488751E-02 -4.531527E-02 -1.453556E-02 -1.113161E-01 -1.181481E-02 -1.177319E-02 -4.914706E-03 --8.335114E-02 -8.413868E-03 --3.477118E-02 -3.157253E-03 -2.845561E-02 -7.131040E-04 -2.574512E-01 -1.512044E-02 --9.211350E-02 -1.008500E-02 -9.632849E-02 -9.461775E-03 -8.498261E-02 -1.323683E-02 -9.379849E-02 -2.730612E-03 -6.211066E+01 -7.757387E+02 --3.982186E-01 -1.935864E+00 --1.141738E+00 -8.141766E-01 --8.849778E-01 -5.876897E-01 -1.242209E+00 -8.505593E-01 --5.243340E-01 -6.084831E-01 --6.932961E-01 -1.173576E-01 -1.838190E-01 -7.235898E-01 -1.822180E-01 -1.678650E-01 -1.776488E-01 -2.065829E-01 -2.018694E-01 -2.835613E-02 -1.981267E-01 -2.113291E-01 -6.333584E-01 -2.911046E-01 -9.107098E-01 -2.370932E-01 -1.388416E-01 -1.771215E-01 -7.776395E-01 -3.472463E-01 -2.844808E-01 -1.262659E-01 -1.075302E-01 -5.878152E-02 --9.524430E-02 -2.356129E-01 --7.460188E-02 -3.658302E-01 -9.002646E-01 -2.408214E-01 --2.433226E-04 -2.947432E-01 -2.706141E-01 -8.383492E-02 -3.187244E-01 -1.025882E-01 -4.009682E-01 -2.985792E-01 -1.457769E-01 -1.542573E-01 -5.192335E-01 -2.426336E-01 -2.578456E-06 -1.741389E-01 --2.945081E-01 -5.837518E-02 --2.544008E-01 -1.447116E-01 --1.201939E-01 -4.780114E-02 -9.132771E-01 -1.897854E-01 --1.665576E-01 -2.160214E-01 -3.474656E-01 -1.169747E-01 -5.253146E-01 -1.965759E-01 -4.888665E-01 -1.030308E-01 +3.403102E+01 +2.393236E+02 +-3.055588E-01 +3.594044E-02 +3.171128E-01 +3.805380E-01 +-7.374877E-01 +2.391349E-01 +-1.621986E-01 +5.578051E-02 +4.710459E-01 +1.850595E-01 +-4.839599E-01 +2.440735E-01 +1.124798E-01 +8.640649E-02 +-4.976706E-01 +8.943606E-02 +1.323704E-01 +6.713903E-02 +-6.954103E-02 +7.876989E-02 +1.343675E-01 +2.569171E-02 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+-1.454141E-01 +2.683171E-01 +-3.720260E-01 +2.266316E-01 +2.473591E-01 +3.624408E-01 +2.096941E-01 +6.664835E-02 +-4.700220E-01 +9.789465E-02 +-1.626165E-01 +1.315362E-01 +3.519966E-01 +1.140516E-01 +-1.185342E-01 +5.708362E-01 +-1.333083E-01 +1.352294E-01 +1.375803E-01 +1.572243E-01 +-6.099544E-02 +2.042264E-01 +-3.664336E-01 +1.762506E-01 +-1.717957E-01 +5.864778E-02 +-5.153204E-01 +2.484316E-01 +-2.258513E-01 +8.839687E-02 +-9.307566E-01 +4.802462E-01 +1.108577E-01 +4.451362E-02 +1.118965E+00 +5.173979E-01 +4.314600E-01 +5.176751E-02 +-2.864060E-01 +9.159895E-02 +-4.471918E-01 +1.743046E-01 +-7.850808E-02 +1.317732E-01 +-7.445394E-01 +1.479808E-01 +7.480873E-01 +2.696289E-01 +1.731449E-01 +5.301367E-02 +-3.663464E-01 +3.430563E-02 +3.553351E-01 +2.051544E-01 +-4.312304E-01 +2.164291E-01 +2.436515E-01 +8.025128E-02 diff --git a/tests/test_score_kappafission/results_true.dat b/tests/test_score_kappafission/results_true.dat index a6ae538c4f..d0a8d85021 100644 --- a/tests/test_score_kappafission/results_true.dat +++ b/tests/test_score_kappafission/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -1.555164E+02 -5.045335E+03 +2.135627E+02 +9.364189E+03 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.967117E+02 -7.969405E+03 +1.782510E+02 +6.811324E+03 diff --git a/tests/test_score_nufission/results_true.dat b/tests/test_score_nufission/results_true.dat index d840521695..72ca819eae 100644 --- a/tests/test_score_nufission/results_true.dat +++ b/tests/test_score_nufission/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -2.082752E+00 -9.038453E-01 +2.879098E+00 +1.700626E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -2.640026E+00 -1.436287E+00 +2.401881E+00 +1.235627E+00 diff --git a/tests/test_score_nuscatter/results_true.dat b/tests/test_score_nuscatter/results_true.dat index a29e57e47b..6dab56d44d 100644 --- a/tests/test_score_nuscatter/results_true.dat +++ b/tests/test_score_nuscatter/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: 0.000000E+00 0.000000E+00 -1.001000E+01 -2.055270E+01 -2.370000E+00 -1.250100E+00 -3.391000E+01 -2.317483E+02 +1.239000E+01 +3.172630E+01 +3.570000E+00 +2.668900E+00 +4.450000E+01 +4.100412E+02 diff --git a/tests/test_score_nuscatter_n/results_true.dat b/tests/test_score_nuscatter_n/results_true.dat index ce22b7c0a8..638fa5e900 100644 --- a/tests/test_score_nuscatter_n/results_true.dat +++ b/tests/test_score_nuscatter_n/results_true.dat @@ -1,33 +1,33 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -1.001000E+01 -2.055270E+01 -1.045458E+00 -2.880795E-01 -3.394443E-01 -4.521695E-02 -3.397524E-01 -3.549593E-02 -1.551656E-01 -6.451528E-03 -2.370000E+00 -1.250100E+00 -4.069121E-01 -3.712261E-02 -1.675181E-01 -8.485856E-03 -4.222049E-02 -1.259403E-03 --3.192012E-02 -3.638177E-03 -3.391000E+01 -2.317483E+02 -1.683873E+01 -5.703705E+01 -5.997824E+00 -7.439673E+00 -4.483230E-01 -1.440023E-01 --5.793501E-01 -1.160971E-01 +1.239000E+01 +3.172630E+01 +1.431689E+00 +4.209133E-01 +6.192790E-01 +1.440589E-01 +4.143123E-01 +5.479770E-02 +2.942906E-01 +3.458523E-02 +3.570000E+00 +2.668900E+00 +3.298388E-01 +4.816449E-02 +3.308381E-01 +3.018261E-02 +5.366444E-02 +7.235974E-03 +-7.363858E-02 +7.113489E-03 +4.450000E+01 +4.100412E+02 +2.317316E+01 +1.102855E+02 +8.679054E+00 +1.538963E+01 +7.128469E-01 +1.440027E-01 +-1.172445E+00 +3.514659E-01 diff --git a/tests/test_score_nuscatter_pn/results_true.dat b/tests/test_score_nuscatter_pn/results_true.dat index 58b1f8d9e9..18a93153ed 100644 --- a/tests/test_score_nuscatter_pn/results_true.dat +++ b/tests/test_score_nuscatter_pn/results_true.dat @@ -1,24 +1,24 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -1.001000E+01 -2.055270E+01 -1.045458E+00 -2.880795E-01 -3.394443E-01 -4.521695E-02 -3.397524E-01 -3.549593E-02 -1.551656E-01 -6.451528E-03 +1.239000E+01 +3.172630E+01 +1.431689E+00 +4.209133E-01 +6.192790E-01 +1.440589E-01 +4.143123E-01 +5.479770E-02 +2.942906E-01 +3.458523E-02 tally 2: -1.001000E+01 -2.055270E+01 -1.045458E+00 -2.880795E-01 -3.394443E-01 -4.521695E-02 -3.397524E-01 -3.549593E-02 -1.551656E-01 -6.451528E-03 +1.239000E+01 +3.172630E+01 +1.431689E+00 +4.209133E-01 +6.192790E-01 +1.440589E-01 +4.143123E-01 +5.479770E-02 +2.942906E-01 +3.458523E-02 diff --git a/tests/test_score_nuscatter_yn/results_true.dat b/tests/test_score_nuscatter_yn/results_true.dat index 85497da955..e6ca67827c 100644 --- a/tests/test_score_nuscatter_yn/results_true.dat +++ b/tests/test_score_nuscatter_yn/results_true.dat @@ -1,38 +1,38 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -1.001000E+01 -2.055270E+01 +1.239000E+01 +3.172630E+01 tally 2: -1.001000E+01 -2.055270E+01 --1.183126E-01 -8.968581E-03 -1.285740E-01 -2.012866E-02 --1.063642E-01 -5.657462E-03 --1.012197E-01 -3.482657E-03 --1.468579E-01 -5.892528E-03 -7.311799E-02 -3.363909E-03 -1.772847E-02 -2.338115E-03 --1.306294E-02 -3.964203E-04 -1.105099E-02 -4.221119E-04 --3.469267E-03 -3.620983E-04 --6.776742E-02 -2.523905E-03 -7.275197E-02 -5.799188E-03 -1.235708E-01 -4.329131E-03 -3.335853E-02 -2.420903E-03 -6.869200E-02 -3.326258E-03 +1.239000E+01 +3.172630E+01 +-1.558408E-01 +1.069360E-02 +-4.768057E-02 +2.298561E-02 +7.015981E-02 +1.366523E-02 +-2.449791E-02 +5.899048E-03 +9.535825E-02 +6.335188E-03 +-9.915129E-03 +2.116965E-03 +-2.535001E-03 +2.410993E-03 +1.030312E-01 +1.128648E-02 +-4.471182E-02 +6.335010E-03 +4.744793E-02 +2.215754E-03 +6.507318E-02 +2.747856E-03 +-8.724368E-02 +3.500811E-03 +5.479971E-03 +2.059588E-04 +-1.345855E-01 +5.547202E-03 +8.586379E-02 +3.537507E-03 diff --git a/tests/test_score_scatter/results_true.dat b/tests/test_score_scatter/results_true.dat index 89f052deaa..bc73884816 100644 --- a/tests/test_score_scatter/results_true.dat +++ b/tests/test_score_scatter/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: 0.000000E+00 0.000000E+00 -9.853983E+00 -1.982237E+01 -2.420171E+00 -1.197617E+00 -3.422120E+01 -2.388147E+02 +1.290818E+01 +3.438677E+01 +3.136743E+00 +2.032819E+00 +4.503247E+01 +4.196453E+02 diff --git a/tests/test_score_scatter_n/results_true.dat b/tests/test_score_scatter_n/results_true.dat index ce22b7c0a8..d7a49c1f34 100644 --- a/tests/test_score_scatter_n/results_true.dat +++ b/tests/test_score_scatter_n/results_true.dat @@ -1,33 +1,33 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: -1.001000E+01 -2.055270E+01 -1.045458E+00 -2.880795E-01 -3.394443E-01 -4.521695E-02 -3.397524E-01 -3.549593E-02 -1.551656E-01 -6.451528E-03 -2.370000E+00 -1.250100E+00 -4.069121E-01 -3.712261E-02 -1.675181E-01 -8.485856E-03 -4.222049E-02 -1.259403E-03 --3.192012E-02 -3.638177E-03 -3.391000E+01 -2.317483E+02 -1.683873E+01 -5.703705E+01 -5.997824E+00 -7.439673E+00 -4.483230E-01 -1.440023E-01 --5.793501E-01 -1.160971E-01 +1.238000E+01 +3.168320E+01 +1.437080E+00 +4.234943E-01 +6.199204E-01 +1.441510E-01 +4.101424E-01 +5.414561E-02 +2.977431E-01 +3.433685E-02 +3.570000E+00 +2.668900E+00 +3.298388E-01 +4.816449E-02 +3.308381E-01 +3.018261E-02 +5.366444E-02 +7.235974E-03 +-7.363858E-02 +7.113489E-03 +4.450000E+01 +4.100412E+02 +2.317316E+01 +1.102855E+02 +8.679054E+00 +1.538963E+01 +7.128469E-01 +1.440027E-01 +-1.172445E+00 +3.514659E-01 diff --git a/tests/test_score_scatter_pn/results_true.dat b/tests/test_score_scatter_pn/results_true.dat index 58b1f8d9e9..d6767ea031 100644 --- a/tests/test_score_scatter_pn/results_true.dat +++ b/tests/test_score_scatter_pn/results_true.dat @@ -1,24 +1,24 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -1.001000E+01 -2.055270E+01 -1.045458E+00 -2.880795E-01 -3.394443E-01 -4.521695E-02 -3.397524E-01 -3.549593E-02 -1.551656E-01 -6.451528E-03 +1.238000E+01 +3.168320E+01 +1.437080E+00 +4.234943E-01 +6.199204E-01 +1.441510E-01 +4.101424E-01 +5.414561E-02 +2.977431E-01 +3.433685E-02 tally 2: -1.001000E+01 -2.055270E+01 -1.045458E+00 -2.880795E-01 -3.394443E-01 -4.521695E-02 -3.397524E-01 -3.549593E-02 -1.551656E-01 -6.451528E-03 +1.238000E+01 +3.168320E+01 +1.437080E+00 +4.234943E-01 +6.199204E-01 +1.441510E-01 +4.101424E-01 +5.414561E-02 +2.977431E-01 +3.433685E-02 diff --git a/tests/test_score_scatter_yn/results_true.dat b/tests/test_score_scatter_yn/results_true.dat index 1cf8e26c14..23f56743bd 100644 --- a/tests/test_score_scatter_yn/results_true.dat +++ b/tests/test_score_scatter_yn/results_true.dat @@ -1,56 +1,56 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -1.001000E+01 -2.055270E+01 +1.238000E+01 +3.168320E+01 tally 2: -1.001000E+01 -2.055270E+01 --1.183126E-01 -8.968581E-03 -1.285740E-01 -2.012866E-02 --1.063642E-01 -5.657462E-03 --1.012197E-01 -3.482657E-03 --1.468579E-01 -5.892528E-03 -7.311799E-02 -3.363909E-03 -1.772847E-02 -2.338115E-03 --1.306294E-02 -3.964203E-04 -1.105099E-02 -4.221119E-04 --3.469267E-03 -3.620983E-04 --6.776742E-02 -2.523905E-03 -7.275197E-02 -5.799188E-03 -1.235708E-01 -4.329131E-03 -3.335853E-02 -2.420903E-03 -6.869200E-02 -3.326258E-03 -5.493102E-03 -1.435058E-03 -5.729583E-02 -1.002124E-03 -2.338667E-02 -1.568394E-03 --6.527369E-02 -2.163907E-03 -5.997182E-02 -2.521405E-03 -1.400703E-02 -3.928690E-04 --3.471565E-02 -4.095776E-04 --2.275813E-02 -1.120381E-03 -2.896166E-02 -1.179565E-03 +1.238000E+01 +3.168320E+01 +-1.570048E-01 +1.067590E-02 +-4.730723E-02 +2.307294E-02 +6.490976E-02 +1.426908E-02 +-2.426427E-02 +5.909294E-03 +9.534163E-02 +6.333588E-03 +-1.023123E-02 +2.132217E-03 +-2.609941E-03 +2.406916E-03 +1.035322E-01 +1.128320E-02 +-4.271935E-02 +6.478440E-03 +4.721270E-02 +2.212864E-03 +6.453502E-02 +2.750693E-03 +-8.681394E-02 +3.493602E-03 +3.052598E-03 +1.842182E-04 +-1.350899E-01 +5.564227E-03 +8.846033E-02 +3.537258E-03 +5.729362E-02 +2.064207E-03 +1.780469E-02 +2.838072E-03 +-4.570340E-02 +2.812380E-03 +2.213430E-02 +5.564728E-04 +-3.159434E-03 +3.500419E-03 +-1.547339E-02 +1.929157E-03 +6.653362E-02 +1.421509E-03 +1.226039E-02 +1.144939E-03 +5.785933E-03 +4.218074E-04 diff --git a/tests/test_score_total/results_true.dat b/tests/test_score_total/results_true.dat index 42c42c7bb3..0a1924c5d7 100644 --- a/tests/test_score_total/results_true.dat +++ b/tests/test_score_total/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tallies: 0.000000E+00 0.000000E+00 -1.161117E+01 -2.754585E+01 -2.434414E+00 -1.211549E+00 -3.447929E+01 -2.424749E+02 +1.517577E+01 +4.747271E+01 +3.151504E+00 +2.051857E+00 +4.536316E+01 +4.258781E+02 diff --git a/tests/test_score_total_yn/results_true.dat b/tests/test_score_total_yn/results_true.dat index fdabd9a144..b78df10085 100644 --- a/tests/test_score_total_yn/results_true.dat +++ b/tests/test_score_total_yn/results_true.dat @@ -1,14 +1,14 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: 0.000000E+00 0.000000E+00 -1.161117E+01 -2.754585E+01 -2.434414E+00 -1.211549E+00 -3.447929E+01 -2.424749E+02 +1.517577E+01 +4.747271E+01 +3.151504E+00 +2.051857E+00 +4.536316E+01 +4.258781E+02 tally 2: 0.000000E+00 0.000000E+00 @@ -60,153 +60,153 @@ tally 2: 0.000000E+00 0.000000E+00 0.000000E+00 -1.161117E+01 -2.754585E+01 --2.142174E-01 -3.279724E-02 -2.074847E-01 -2.494364E-02 --7.903982E-02 -5.676631E-02 -3.590832E-02 -7.445500E-03 -1.227905E-01 -9.669037E-03 --2.956073E-02 -1.053089E-02 -2.125913E-01 -1.573643E-02 -3.994388E-02 -2.050911E-03 -1.428931E-02 -2.097252E-02 -1.852982E-02 -6.763156E-03 -4.256344E-02 -2.201630E-02 -5.235939E-02 -6.390478E-03 --1.917565E-02 -6.057279E-03 -1.376468E-01 -1.381691E-02 -1.645657E-01 -6.909700E-03 -1.278040E-01 -7.358858E-03 --4.885049E-02 -1.284487E-02 -1.015768E-01 -1.186044E-02 --2.500552E-01 -2.850264E-02 -1.268185E-01 -8.830642E-03 --5.298980E-02 -1.174521E-02 --1.167860E-01 -5.317695E-03 -3.551278E-02 -9.746518E-03 --5.156958E-02 -1.096176E-02 -2.434414E+00 -1.211549E+00 --6.155874E-02 -1.820287E-03 --1.131385E-02 -9.885845E-04 -3.264871E-02 -3.152029E-03 -3.906111E-03 -2.989255E-04 -3.357694E-02 -1.204498E-03 --8.509149E-03 -4.932744E-04 -1.643578E-02 -6.559372E-04 --4.516161E-03 -2.859238E-04 --6.070807E-03 -5.103752E-04 -3.789990E-02 -8.649607E-04 -3.099170E-02 -6.294018E-04 --4.634547E-03 -7.282887E-04 --2.803226E-02 -5.565347E-04 -3.075995E-02 -6.733281E-04 -1.994943E-02 -2.449085E-04 -1.365097E-02 -2.449553E-04 --7.320266E-03 -4.797846E-04 -2.167643E-02 -1.743090E-03 --4.027522E-02 -1.131919E-03 --1.877523E-03 -1.528174E-04 --1.875876E-03 -5.415691E-04 --1.250223E-02 -1.039339E-04 -3.243151E-02 -9.979755E-04 -1.661028E-02 -8.875222E-04 -3.447929E+01 -2.424749E+02 --1.193109E-01 -4.356870E-02 -4.994465E-01 -1.364747E-01 -4.743095E-01 -3.139795E-01 -1.572748E-01 -7.384373E-02 --6.645997E-02 -5.859821E-02 -4.439125E-01 -1.312325E-01 -1.989592E-01 -2.220419E-01 -1.184923E-01 -1.733884E-01 -6.229896E-02 -7.986227E-02 -2.843483E-01 -5.493256E-02 -5.285802E-01 -1.588852E-01 --6.319558E-03 -2.538235E-02 -1.305659E-01 -6.500548E-03 -4.407872E-01 -5.126698E-02 -3.461406E-01 -7.630185E-02 -2.738707E-01 -1.899347E-02 -6.267800E-02 -8.687333E-02 -1.458903E-01 -6.032971E-02 --4.003833E-01 -1.973491E-01 -2.274520E-01 -8.366655E-02 --7.682364E-02 -1.930925E-02 --5.201000E-02 -4.531851E-02 --1.736210E-01 -1.161595E-01 --2.291894E-02 -2.411043E-02 +1.517577E+01 +4.747271E+01 +-2.463504E-01 +2.376091E-02 +7.930151E-02 +3.516796E-02 +-1.611736E-01 +2.658129E-02 +-9.124923E-02 +1.181443E-02 +2.766258E-01 +2.310767E-02 +-2.269608E-01 +3.593659E-02 +-5.345296E-02 +1.169733E-02 +-1.838169E-01 +1.625334E-02 +-7.883035E-02 +8.514293E-03 +-4.922148E-02 +7.767910E-03 +1.144559E-01 +4.638553E-03 +-2.027207E-01 +2.158672E-02 +5.449222E-02 +1.287150E-02 +5.384229E-02 +6.688120E-03 +-8.231311E-02 +2.743044E-02 +1.172791E-02 +1.089457E-02 +-1.545389E-01 +2.655167E-02 +-2.290221E-01 +1.443721E-02 +2.773254E-02 +1.070478E-02 +-2.522703E-02 +1.136506E-02 +-1.287564E-02 +4.969443E-03 +3.471629E-02 +7.559603E-03 +-2.261509E-01 +2.383142E-02 +-1.463402E-01 +1.526988E-02 +3.151504E+00 +2.051857E+00 +-4.923938E-02 +1.416150E-03 +-1.041702E-02 +8.114498E-04 +-3.212977E-02 +2.419393E-03 +2.557299E-02 +1.124488E-03 +4.083178E-02 +1.351219E-03 +-3.910818E-02 +8.908208E-04 +5.659008E-03 +4.488733E-04 +-1.625829E-02 +2.325229E-04 +2.554220E-02 +7.666018E-04 +-2.251672E-02 +7.703442E-04 +-8.302473E-03 +2.748216E-04 +-7.692439E-02 +2.167893E-03 +7.267773E-03 +7.781908E-04 +6.821338E-03 +9.518921E-04 +-2.203951E-02 +2.214610E-03 +2.052514E-02 +3.756195E-04 +-4.158574E-02 +9.330261E-04 +-3.000932E-02 +4.584914E-04 +-2.247072E-02 +2.519845E-04 +1.589401E-02 +2.302726E-04 +-7.793790E-04 +1.588955E-04 +-4.634908E-03 +5.395803E-04 +-1.193817E-02 +1.674419E-04 +-1.682320E-02 +8.389254E-04 +4.536316E+01 +4.258781E+02 +-6.747275E-01 +3.006113E-01 +5.302096E-01 +4.167797E-01 +-4.347270E-01 +3.702158E-01 +-7.344612E-02 +5.940699E-02 +1.081217E+00 +4.070812E-01 +-3.172368E-02 +3.124338E-02 +2.656115E-01 +8.561866E-02 +-1.286933E-01 +8.347413E-02 +1.258195E-01 +3.329577E-02 +-3.751107E-01 +9.007513E-02 +4.283879E-01 +1.067035E-01 +-3.467870E-01 +6.788988E-02 +4.218567E-02 +4.465188E-02 +6.876561E-02 +5.655954E-02 +-1.116047E-01 +1.073179E-01 +4.077067E-01 +1.148942E-01 +-3.218725E-01 +4.739201E-02 +-4.297438E-01 +9.739104E-02 +2.199014E-01 +2.328443E-02 +6.007636E-01 +1.194137E-01 +-2.194826E-01 +5.017106E-02 +2.266133E-01 +1.131899E-01 +7.161674E-04 +3.345992E-02 +-1.987041E-01 +1.381432E-01 diff --git a/tests/test_tally_assumesep/results_true.dat b/tests/test_tally_assumesep/results_true.dat index 2b6cd8f55b..a2f3586ae4 100644 --- a/tests/test_tally_assumesep/results_true.dat +++ b/tests/test_tally_assumesep/results_true.dat @@ -1,11 +1,11 @@ k-combined: -9.600453E-01 2.025740E-01 +1.093844E+00 1.626801E-02 tally 1: -1.161117E+01 -2.754585E+01 +1.517577E+01 +4.747271E+01 tally 2: -2.434414E+00 -1.211549E+00 +3.151504E+00 +2.051857E+00 tally 3: -3.447929E+01 -2.424749E+02 +4.536316E+01 +4.258781E+02