Merge branch 'develop' into point-detector

Author: GuySten

CMakeLists.txt

@@ -614,9 +614,7 @@ add_custom_command(TARGET libopenmc POST_BUILD
 #===============================================================================
 # Install executable, scripts, manpage, license
 #===============================================================================
-
-configure_file(cmake/OpenMCConfig.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake" @ONLY)
-configure_file(cmake/OpenMCConfigVersion.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake" @ONLY)
+include(CMakePackageConfigHelpers)
 
 set(INSTALL_CONFIGDIR ${CMAKE_INSTALL_LIBDIR}/cmake/OpenMC)
 install(TARGETS openmc libopenmc
@@ -630,10 +628,24 @@ install(EXPORT openmc-targets
   NAMESPACE OpenMC::
   DESTINATION ${INSTALL_CONFIGDIR})
 
+configure_package_config_file(
+    "cmake/OpenMCConfig.cmake.in"
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
+    INSTALL_DESTINATION ${INSTALL_CONFIGDIR}
+)
+
+write_basic_package_version_file(
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
+    VERSION ${OPENMC_VERSION}
+    COMPATIBILITY AnyNewerVersion
+)
+
 install(FILES
-  "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
-  "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
-  DESTINATION ${INSTALL_CONFIGDIR})
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
+    DESTINATION "${INSTALL_CONFIGDIR}"
+)
+
 install(FILES man/man1/openmc.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)
 install(FILES LICENSE DESTINATION "${CMAKE_INSTALL_DOCDIR}" RENAME copyright)
 install(DIRECTORY include/ DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})

cmake/OpenMCConfig.cmake.in

@@ -1,12 +1,18 @@
-get_filename_component(OpenMC_CMAKE_DIR "${CMAKE_CURRENT_LIST_FILE}" DIRECTORY)
+@PACKAGE_INIT@
 
-# Compute the install prefix from this file's location
-get_filename_component(_OPENMC_PREFIX "${OpenMC_CMAKE_DIR}/../../.." ABSOLUTE)
+include("${CMAKE_CURRENT_LIST_DIR}/OpenMCConfigVersion.cmake")
+include(CMakeFindDependencyMacro)
+
+# Explicitly calculate prefix if it was not generated above
+if(NOT DEFINED PACKAGE_PREFIX_DIR)
+  get_filename_component(PACKAGE_PREFIX_DIR "${CMAKE_CURRENT_LIST_DIR}/../../.." ABSOLUTE)
+endif()
+
+find_dependency(fmt CONFIG REQUIRED HINTS ${PACKAGE_PREFIX_DIR})
+find_dependency(pugixml CONFIG REQUIRED HINTS ${PACKAGE_PREFIX_DIR})
 
-find_package(fmt CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
-find_package(pugixml CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
 if(@OPENMC_USE_DAGMC@)
-  find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
+  find_dependency(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
 
 if(@OPENMC_USE_LIBMESH@)
@@ -16,20 +22,24 @@ if(@OPENMC_USE_LIBMESH@)
   pkg_check_modules(LIBMESH REQUIRED @LIBMESH_PC_FILE@>=1.7.0 IMPORTED_TARGET)
 endif()
 
-find_package(PNG)
-
-if(NOT TARGET OpenMC::libopenmc)
-  include("${OpenMC_CMAKE_DIR}/OpenMCTargets.cmake")
+if("@PNG_FOUND@")
+  find_dependency(PNG)
 endif()
 
 if(@OPENMC_USE_MPI@)
-  find_package(MPI REQUIRED)
+  find_dependency(MPI REQUIRED)
 endif()
 
 if(@OPENMC_USE_OPENMP@)
-  find_package(OpenMP REQUIRED)
+  find_dependency(OpenMP REQUIRED)
 endif()
 
 if(@OPENMC_USE_UWUW@ AND NOT ${DAGMC_BUILD_UWUW})
   message(FATAL_ERROR "UWUW is enabled in OpenMC but the DAGMC installation discovered was not configured with UWUW.")
 endif()
+
+include("${CMAKE_CURRENT_LIST_DIR}/OpenMCTargets.cmake")
+
+if(NOT OpenMC_FIND_QUIETLY)
+    message(STATUS "Found OpenMC: ${PACKAGE_VERSION} (found in ${PACKAGE_PREFIX_DIR})")
+endif()

cmake/OpenMCConfigVersion.cmake.in

@@ -406,24 +406,55 @@ Each ``<dagmc_universe>`` element can have the following attributes or sub-eleme
 
     *Default*: None
 
-  :material_overrides:
-    This element contains information on material overrides to be applied to the
-    DAGMC universe. It has the following attributes and sub-elements:
-
-    :cell:
-      Material override information for a single cell. It contains the following
-      attributes and sub-elements:
-
-      :id:
-        The cell ID in the DAGMC geometry for which the material override will
-        apply.
-
-      :materials:
-        A list of material IDs that will apply to instances of the cell. If the
-        list contains only one ID, it will replace the original material
-        assignment of all instances of the DAGMC cell. If the list contains more
-        than one material, each material ID of the list will be assigned to the
-        various instances of the DAGMC cell.
+  :cell:
+    Zero or more ``<cell>`` sub-elements may appear to override properties of
+    individual DAGMC volumes. Each ``<cell>`` element supports the following
+    attributes and sub-elements:
+
+    :id:
+      The integer cell ID in the DAGMC geometry to override. Required.
+
+    :name:
+      An optional string label for the cell.
+
+      *Default*: None
+
+    :material:
+      The material ID to assign to this cell. Use ``void`` for vacuum. Multiple
+      space-separated IDs may be given to specify a distribmat (distributed
+      material) assignment. Required.
+
+    :temperature:
+      Temperature(s) in [K] to assign to the cell. Must be ≥ 0. Multiple
+      space-separated values may be given.
+
+      *Default*: None
+
+    :density:
+      Density in [g/cm³] to assign to the cell. Must be > 0. Requires a non-void
+      material fill. Multiple space-separated values may be given.
+
+      *Default*: None
+
+    :volume:
+      Volume of the cell in [cm³].
+
+      .. note:: DAGMC can compute cell volumes exactly from the triangulated
+                mesh surfaces. Specifying a manual volume risks inconsistency
+                with that capability.
+
+      *Default*: None
+
+    The following standard ``<cell>`` attributes are **not** supported inside
+    ``<dagmc_universe>`` and will raise an error if present: ``region``,
+    ``fill``, ``universe``, ``translation``, ``rotation``.
+
+    .. deprecated::
+      The ``<material_overrides>`` sub-element (containing ``<cell_override>``
+      children with ``<material_ids>``) is deprecated. A deprecation warning is
+      emitted and the overrides are converted to the ``<cell>`` format at parse
+      time. It is an error to specify both ``<material_overrides>`` and
+      ``<cell>`` sub-elements on the same ``<dagmc_universe>``.
 
     *Default*: None
 

docs/source/io_formats/geometry.rst

@@ -741,14 +741,16 @@ pseudo-random number generator.
 
   *Default*: 1
 
---------------------
-``<stride>`` Element
---------------------
-
-The ``stride`` element is used to specify how many random numbers are allocated
-for each source particle history.
+-----------------------------------
+``<shared_secondary_bank>`` Element
+-----------------------------------
 
-  *Default*: 152,917
+  The ``shared_secondary_bank`` element indicates whether to use a shared
+  secondary particle bank. When enabled, secondary particles are collected into
+  a global bank, sorted for reproducibility, and load-balanced across MPI ranks
+  between generations. If not specified, the shared secondary bank is enabled
+  automatically for fixed-source simulations with weight windows active, and
+  disabled otherwise.
 
 .. _source_element:
 
@@ -1156,23 +1158,6 @@ based on constraints.
 
    *Default*: 0.05
 
--------------------------
-``<state_point>`` Element
--------------------------
-
-The ``<state_point>`` element indicates at what batches a state point file
-should be written. A state point file can be used to restart a run or to get
-tally results at any batch. The default behavior when using this tag is to
-write out the source bank in the state_point file. This behavior can be
-customized by using the ``<source_point>`` element. This element has the
-following attributes/sub-elements:
-
-  :batches:
-    A list of integers separated by spaces indicating at what batches a state
-    point file should be written.
-
-    *Default*: Last batch only
-
 --------------------------
 ``<source_point>`` Element
 --------------------------
@@ -1222,6 +1207,32 @@ attributes/sub-elements:
 
     *Default*: false
 
+-------------------------
+``<state_point>`` Element
+-------------------------
+
+The ``<state_point>`` element indicates at what batches a state point file
+should be written. A state point file can be used to restart a run or to get
+tally results at any batch. The default behavior when using this tag is to
+write out the source bank in the state_point file. This behavior can be
+customized by using the ``<source_point>`` element. This element has the
+following attributes/sub-elements:
+
+  :batches:
+    A list of integers separated by spaces indicating at what batches a state
+    point file should be written.
+
+    *Default*: Last batch only
+
+--------------------
+``<stride>`` Element
+--------------------
+
+The ``stride`` element is used to specify how many random numbers are allocated
+for each source particle history.
+
+  *Default*: 152,917
+
 ------------------------------
 ``<surf_source_read>`` Element
 ------------------------------

docs/source/io_formats/settings.rst

@@ -97,7 +97,15 @@ VTK Mesh File Generation
 ------------------------
 
 VTK files of OpenMC meshes can be created using the
-:meth:`openmc.Mesh.write_data_to_vtk`  method. Data can be applied to the
+:meth:`openmc.Mesh.write_data_to_vtk` method. This method supports several VTK
+formats depending on the mesh type. Structured meshes
+(:class:`~openmc.RegularMesh`, :class:`~openmc.RectilinearMesh`,
+:class:`~openmc.CylindricalMesh`, and :class:`~openmc.SphericalMesh`) can be
+exported to legacy VTK format (``.vtk``). The :class:`~openmc.UnstructuredMesh`
+class supports VTK unstructured grid formats (``.vtu``) as well as an HDF5-based
+format (``.vtkhdf``) that does not require the ``vtk`` module to write.
+
+Data can be applied to the
 elements of the resulting mesh from mesh filter objects. This data can be
 provided either as a flat array or, in the case of structured meshes
 (:class:`~openmc.RegularMesh`, :class:`~openmc.RectilinearMesh`,

docs/source/usersguide/processing.rst

@@ -34,18 +34,24 @@ extern vector<vector<double>> ifp_fission_lifetime_bank;
 
 extern vector<int64_t> progeny_per_particle;
 
+extern SharedArray<SourceSite> shared_secondary_bank_read;
+extern SharedArray<SourceSite> shared_secondary_bank_write;
+
 } // namespace simulation
 
 //==============================================================================
 // Non-member functions
 //==============================================================================
 
-void sort_fission_bank();
+void sort_bank(SharedArray<SourceSite>& bank, bool is_fission_bank);
 
 void free_memory_bank();
 
 void init_fission_bank(int64_t max);
 
+int64_t synchronize_global_secondary_bank(
+  SharedArray<SourceSite>& shared_secondary_bank);
+
 } // namespace openmc
 
 #endif // OPENMC_BANK_H

include/openmc/bank.h

@@ -145,6 +145,30 @@ class Region {
   bool simple_; //!< Does the region contain only intersections?
 };
 
+//==============================================================================
+// XML parsing helpers for <cell> nodes
+//==============================================================================
+
+//! Parse material IDs from a <cell> XML node.
+//! \param node XML node containing a "material" attribute or child element
+//! \param cell_id Cell ID used in error messages
+//! \return Vector of material IDs (MATERIAL_VOID for "void")
+vector<int32_t> parse_cell_material_xml(pugi::xml_node node, int32_t cell_id);
+
+//! Parse temperatures in [K] from a <cell> XML node.
+//! Validates that all values are non-negative and the list is non-empty.
+//! \param node XML node containing a "temperature" attribute or child element
+//! \param cell_id Cell ID used in error messages
+//! \return Vector of temperatures in [K]
+vector<double> parse_cell_temperature_xml(pugi::xml_node node, int32_t cell_id);
+
+//! Parse densities in [g/cm³] from a <cell> XML node.
+//! Validates that all values are positive and the list is non-empty.
+//! \param node XML node containing a "density" attribute or child element
+//! \param cell_id Cell ID used in error messages
+//! \return Vector of densities in [g/cm³]
+vector<double> parse_cell_density_xml(pugi::xml_node node, int32_t cell_id);
+
 //==============================================================================
 
 class Cell {

include/openmc/cell.h

@@ -94,6 +94,10 @@ class DAGCell : public Cell {
 class DAGUniverse : public Universe {
 
 public:
+  using MaterialOverrides = std::unordered_map<int32_t, vector<int32_t>>;
+  using TemperatureOverrides = std::unordered_map<int32_t, vector<double>>;
+  using DensityOverrides = std::unordered_map<int32_t, vector<double>>;
+
   explicit DAGUniverse(pugi::xml_node node);
 
   //! Create a new DAGMC universe
@@ -112,6 +116,9 @@ class DAGUniverse : public Universe {
   //! Initialize the DAGMC accel. data structures, indices, material
   //! assignments, etc.
   void initialize();
+  void initialize(const MaterialOverrides& material_overrides,
+    const TemperatureOverrides& temperature_overrides,
+    const DensityOverrides& density_overrides = {});
 
   //! Reads UWUW materials and returns an ID map
   void read_uwuw_materials();
@@ -146,7 +153,8 @@ class DAGUniverse : public Universe {
 
   //! Assign a material overriding normal assignement to a cell
   //! \param[in] c The OpenMC cell to which the material is assigned
-  void override_assign_material(std::unique_ptr<DAGCell>& c) const;
+  void override_assign_material(std::unique_ptr<DAGCell>& c,
+    const MaterialOverrides& material_overrides) const;
 
   //! Return the index into the model cells vector for a given DAGMC volume
   //! handle in the universe
@@ -187,7 +195,9 @@ class DAGUniverse : public Universe {
   void set_id();        //!< Deduce the universe id from model::universes
   void init_dagmc();    //!< Create and initialise DAGMC pointer
   void init_metadata(); //!< Create and initialise dagmcMetaData pointer
-  void init_geometry(); //!< Create cells and surfaces from DAGMC entities
+  void init_geometry(const MaterialOverrides& material_overrides,
+    const TemperatureOverrides& temperature_overrides,
+    const DensityOverrides& density_overrides);
 
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
@@ -201,11 +211,6 @@ class DAGUniverse : public Universe {
                              //!< generate new material IDs for the universe
   bool has_graveyard_; //!< Indicates if the DAGMC geometry has a "graveyard"
                        //!< volume
-  std::unordered_map<int32_t, vector<int32_t>>
-    material_overrides_; //!< Map of material overrides
-                         //!< keys correspond to the DAGMCCell id
-                         //!< values are a list of material ids used
-                         //!< for the override
 };
 
 //==============================================================================