Apply clang-format

include/openmc/material.h

@@ -158,15 +158,18 @@ public:
 #ifdef NCRYSTAL
   //! Get pointer to NCrystal material object
   //! \return Pointer to NCrystal material object
-  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat() const {return ncrystal_mat_; };
+  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat() const
+  {
+    return ncrystal_mat_;
+  };
 #endif
 
   //----------------------------------------------------------------------------
   // Data
-  int32_t id_ {C_NONE};                 //!< Unique ID
-  std::string name_;                    //!< Name of material
-  vector<int> nuclide_;                 //!< Indices in nuclides vector
-  vector<int> element_;                 //!< Indices in elements vector
+  int32_t id_ {C_NONE}; //!< Unique ID
+  std::string name_;    //!< Name of material
+  vector<int> nuclide_; //!< Indices in nuclides vector
+  vector<int> element_; //!< Indices in elements vector
 #ifdef NCRYSTAL
   std::string ncrystal_cfg_; //!< NCrystal configuration string
   std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat_;

include/openmc/physics.h

@@ -111,14 +111,17 @@ void split_particle(Particle& p);
 //==============================================================================
 
 class NCrystalRNGWrapper : public NCrystal::RNGStream {
-    uint64_t* openmc_seed_;
-public:
-    constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
-protected:
-  double actualGenerate() override {
-      return std::max<double>( std::numeric_limits<double>::min(), prn(openmc_seed_) );
-  }
+  uint64_t* openmc_seed_;
 
+public:
+  constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
+
+protected:
+  double actualGenerate() override
+  {
+    return std::max<double>(
+      std::numeric_limits<double>::min(), prn(openmc_seed_));
+  }
 };
 #endif
 

include/openmc/settings.h

@@ -121,7 +121,8 @@ extern "C" int verbosity;          //!< How verbose to make output
 extern double weight_cutoff;       //!< Weight cutoff for Russian roulette
 extern double weight_survive;      //!< Survival weight after Russian roulette
 #ifdef NCRYSTAL
-extern double ncrystal_max_energy; // Energy in eV to switch between NCrystal and ENDF
+extern double
+  ncrystal_max_energy; //!< Energy in eV to switch between NCrystal and ENDF
 #endif
 } // namespace settings
 

src/material.cpp

@@ -64,7 +64,7 @@ Material::Material(pugi::xml_node node)
   if (check_for_node(node, "cfg")) {
     cfg_ = get_node_value(node, "cfg");
     write_message(5, "NCrystal config string: '{}'", ncrystal_cfg_);
-    ncrystal_mat_  = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
+    ncrystal_mat_ = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
   }
 #endif
 
@@ -375,8 +375,8 @@ void Material::finalize()
     this->init_thermal();
   }
 
-// Normalize density
-this->normalize_density();
+  // Normalize density
+  this->normalize_density();
 }
 
 void Material::normalize_density()
@@ -803,11 +803,14 @@ void Material::calculate_neutron_xs(Particle& p) const
 #ifdef NCRYSTAL
   double ncrystal_xs = -1;
 
-  if (ncrystal_mat_ && p.E() < settings::ncrystal_max_energy){
+  if (ncrystal_mat_ && p.E() < settings::ncrystal_max_energy) {
     // Calculate scattering XS per atom with NCrystal, only once per material
     NCrystal::CachePtr dummy_cache;
-    auto nc_energy = NCrystal::NeutronEnergy{p.E()};
-    ncrystal_xs = ncrystal_mat_->crossSection( dummy_cache, nc_energy,  {p.u().x, p.u().y, p.u().z}).get();
+    auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+    ncrystal_xs =
+      ncrystal_mat_
+        ->crossSection(dummy_cache, nc_energy, {p.u().x, p.u().y, p.u().z})
+        .get();
   }
 #endif
 
@@ -859,15 +862,15 @@ void Material::calculate_neutron_xs(Particle& p) const
         i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
       data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, p);
 #ifdef NCRYSTAL
-      if (ncrystal_xs >= 0.0){
-        if ( micro.thermal > 0 || micro.thermal_elastic > 0) {
-            fatal_error("S(a,b) treatment and NCrystal are not compatible.");
-         }
-         data::nuclides[i_nuclide]->calculate_elastic_xs(p);
-         // remove free atom cross section
-         // and replace it by scattering cross section per atom from NCrystal
-         micro.total = micro.total - micro.elastic + ncrystal_xs;
-         micro.elastic = ncrystal_xs;
+      if (ncrystal_xs >= 0.0) {
+        if (micro.thermal > 0 || micro.thermal_elastic > 0) {
+          fatal_error("S(a,b) treatment and NCrystal are not compatible.");
+        }
+        data::nuclides[i_nuclide]->calculate_elastic_xs(p);
+        // remove free atom cross section
+        // and replace it by scattering cross section per atom from NCrystal
+        micro.total = micro.total - micro.elastic + ncrystal_xs;
+        micro.elastic = ncrystal_xs;
       }
 #endif
     }

src/physics.cpp

@@ -138,20 +138,24 @@ void sample_neutron_reaction(Particle& p)
   if (!p.alive())
     return;
 
-  // Sample a scattering reaction and determine the secondary energy of the
-  // exiting neutron
+    // Sample a scattering reaction and determine the secondary energy of the
+    // exiting neutron
 
 #ifdef NCRYSTAL
-  if (model::materials[p.material()]->ncrystal_mat() && p.E() < settings::ncrystal_max_energy){
+  if (model::materials[p.material()]->ncrystal_mat() &&
+      p.E() < settings::ncrystal_max_energy) {
     NCrystalRNGWrapper rng(p.current_seed()); // Initialize RNG
-    //create a cache pointer for multi thread physics
+    // create a cache pointer for multi thread physics
     NCrystal::CachePtr dummy_cache;
-    auto nc_energy = NCrystal::NeutronEnergy{p.E()};
-    auto outcome = model::materials[p.material()]->ncrystal_mat()->sampleScatter( dummy_cache, rng , nc_energy, {p.u().x, p.u().y, p.u().z});
+    auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+    auto outcome =
+      model::materials[p.material()]->ncrystal_mat()->sampleScatter(
+        dummy_cache, rng, nc_energy, {p.u().x, p.u().y, p.u().z});
     p.E_last() = p.E();
     p.E() = outcome.ekin.get();
     Direction u_old {p.u()};
-    p.u() = Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
+    p.u() = Direction(
+      outcome.direction[0], outcome.direction[1], outcome.direction[2]);
     p.mu() = u_old.dot(p.u());
     p.event_mt() = ELASTIC;
   } else {

src/settings.cpp

@@ -119,7 +119,7 @@ double weight_cutoff {0.25};
 double weight_survive {1.0};
 
 #ifdef NCRYSTAL
-double ncrystal_max_energy{5.0};
+double ncrystal_max_energy {5.0};
 #endif
 
 } // namespace settings