Merge remote-tracking branch 'origin/develop' into Sensitivity-Analysis

Calc. Sens. Coeffs. in one run

Author: Ebiwonjumi

Dockerfile

@@ -96,6 +96,7 @@ RUN if [ "$build_dagmc" = "on" ]; then \
         # Install addition packages required for DAGMC
         apt-get -y install libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev \
         && pip install --upgrade numpy \
+        && pip install --no-cache-dir setuptools cython \
         # Clone and install EMBREE
         && mkdir -p $HOME/EMBREE && cd $HOME/EMBREE \
         && git clone --single-branch -b ${EMBREE_TAG} --depth 1 ${EMBREE_REPO} \

docs/source/pythonapi/base.rst

@@ -37,7 +37,6 @@ Simulation Settings
 
    openmc.read_source_file
    openmc.write_source_file
-   openmc.wwinp_to_wws
 
 Material Specification
 ----------------------
@@ -262,8 +261,16 @@ Variance Reduction
    :template: myclass
 
    openmc.WeightWindows
+   openmc.WeightWindowsList
    openmc.WeightWindowGenerator
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
    openmc.hdf5_to_wws
+   openmc.wwinp_to_wws
 
 
 Coarse Mesh Finite Difference Acceleration

docs/source/pythonapi/capi.rst

@@ -91,6 +91,7 @@ Classes
    SurfaceFilter
    Tally
    SensitivityTally
+   TemporarySession
    UniverseFilter
    UnstructuredMesh
    WeightFilter

docs/source/usersguide/install.rst

@@ -515,10 +515,13 @@ to install the Python package in :ref:`"editable" mode <devguide_editable>`.
 Prerequisites
 -------------
 
-The Python API works with Python 3.8+. In addition to Python itself, the API
-relies on a number of third-party packages. All prerequisites can be installed
-using Conda_ (recommended), pip_, or through the package manager in most Linux
-distributions.
+In addition to Python itself, the OpenMC Python API relies on a number of
+third-party packages. All prerequisites can be installed using Conda_
+(recommended), pip_, or through the package manager in most Linux distributions.
+The current required Python version and up-to-date list of package dependencies
+can be found in the `pyproject.toml <https://github.com/openmc-dev/openmc/blob/develop/pyproject.toml>`_
+file in the root directory of the OpenMC repository. An overview of these
+dependencies is provided below.
 
 .. admonition:: Required
    :class: error

docs/source/usersguide/variance_reduction.rst

@@ -162,7 +162,7 @@ solver, the Python input just needs to load the h5 file::
 
     settings.weight_window_checkpoints = {'collision': True, 'surface': True}
     settings.survival_biasing = False
-    settings.weight_windows = openmc.hdf5_to_wws('weight_windows.h5')
+    settings.weight_windows = openmc.WeightWindowsList.from_hdf5('weight_windows.h5')
     settings.weight_windows_on = True
 
 The :class:`~openmc.WeightWindowGenerator` instance is not needed to load an

include/openmc/particle_data.h

@@ -50,6 +50,7 @@ struct SourceSite {
   int delayed_group {0};
   int surf_id {0};
   int fission_nuclide;
+  int surf_id {SURFACE_NONE};
   ParticleType particle;
 
   // Extra attributes that don't show up in source written to file
@@ -442,6 +443,7 @@ class ParticleData : public GeometryState {
 
   double wgt_ {1.0};
   double wgt_born_ {1.0};
+  double wgt_ww_born_ {-1.0};
   double mu_;
   double time_ {0.0};
   double time_last_ {0.0};
@@ -556,6 +558,10 @@ class ParticleData : public GeometryState {
   double& wgt_born() { return wgt_born_; }
   double wgt_born() const { return wgt_born_; }
 
+  // Weight window value at birth
+  double& wgt_ww_born() { return wgt_ww_born_; }
+  const double& wgt_ww_born() const { return wgt_ww_born_; }
+
   // Statistic weight of particle at last collision
   double& wgt_last() { return wgt_last_; }
   const double& wgt_last() const { return wgt_last_; }

include/openmc/random_ray/flat_source_domain.h

@@ -34,7 +34,7 @@ class FlatSourceDomain {
 
   int64_t add_source_to_scalar_flux();
   virtual void batch_reset();
-  void convert_source_regions_to_tallies();
+  void convert_source_regions_to_tallies(int64_t start_sr_id);
   void reset_tally_volumes();
   void random_ray_tally();
   virtual void accumulate_iteration_flux();

include/openmc/source.h

@@ -139,6 +139,9 @@ class IndependentSource : public Source {
   DomainType domain_type() const { return domain_type_; }
   const std::unordered_set<int32_t>& domain_ids() const { return domain_ids_; }
 
+  // Setter for spatial distribution
+  void set_space(UPtrSpace space) { space_ = std::move(space); }
+
 protected:
   // Indicates whether derived class already handles constraints
   bool constraints_applied() const override { return true; }
@@ -205,6 +208,23 @@ typedef unique_ptr<Source> create_compiled_source_t(std::string parameters);
 //! Mesh-based source with different distributions for each element
 //==============================================================================
 
+// Helper class to sample spatial position on a single mesh element
+class MeshElementSpatial : public SpatialDistribution {
+public:
+  MeshElementSpatial(int32_t mesh_index, int elem_index)
+    : mesh_index_(mesh_index), elem_index_(elem_index)
+  {}
+
+  //! Sample a position from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled position
+  Position sample(uint64_t* seed) const override;
+
+private:
+  int32_t mesh_index_ {C_NONE}; //!< Index in global meshes array
+  int elem_index_;              //! Index of mesh element
+};
+
 class MeshSource : public Source {
 public:
   // Constructors
@@ -219,18 +239,15 @@ class MeshSource : public Source {
   double strength() const override { return space_->total_strength(); }
 
   // Accessors
-  const std::unique_ptr<Source>& source(int32_t i) const
+  const unique_ptr<IndependentSource>& source(int32_t i) const
   {
     return sources_.size() == 1 ? sources_[0] : sources_[i];
   }
 
-protected:
-  bool constraints_applied() const override { return true; }
-
 private:
   // Data members
-  unique_ptr<MeshSpatial> space_;           //!< Mesh spatial
-  vector<std::unique_ptr<Source>> sources_; //!< Source distributions
+  unique_ptr<MeshSpatial> space_;                 //!< Mesh spatial
+  vector<unique_ptr<IndependentSource>> sources_; //!< Source distributions
 };
 
 //==============================================================================