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use base class to handle layout of particle data

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This commit is contained in:
Gavin Ridley 2021-04-16 15:35:33 -04:00
parent 5cf8482d9a
commit 2af4c9cd92
39 changed files with 834 additions and 795 deletions
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6
include/openmc/bank.h
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@ -16,11 +16,11 @@ namespace openmc {
namespace simulation {
extern std::vector<Particle::Bank> source_bank;
extern std::vector<ParticleBank> source_bank;
extern SharedArray<Particle::Bank> surf_source_bank;
extern SharedArray<ParticleBank> surf_source_bank;
extern SharedArray<Particle::Bank> fission_bank;
extern SharedArray<ParticleBank> fission_bank;
extern std::vector<int64_t> progeny_per_particle;

2
include/openmc/event.h
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@ -25,7 +25,7 @@ namespace openmc {
// consistent locality improvements.
struct EventQueueItem{
int64_t idx; //!< particle index in event-based particle buffer
Particle::Type type; //!< particle type
ParticleType type; //!< particle type
int64_t material; //!< material that particle is in
double E; //!< particle energy

6
include/openmc/geometry.h
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@ -6,11 +6,13 @@
#include <cstdint>
#include <vector>
#include "openmc/particle.h"
#include "openmc/constants.h"
namespace openmc {
class BoundaryInfo;
class Particle;
//==============================================================================
// Global variables
//==============================================================================

9
include/openmc/mesh.h
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@ -158,8 +158,8 @@ public:
//! \param[in] Pointer to bank sites
//! \param[in] Number of bank sites
//! \param[out] Whether any bank sites are outside the mesh
xt::xtensor<double, 1> count_sites(const Particle::Bank* bank,
int64_t length, bool* outside) const;
xt::xtensor<double, 1> count_sites(
const ParticleBank* bank, int64_t length, bool* outside) const;
//! Get bin given mesh indices
//
@ -256,9 +256,8 @@ public:
//! \param[in] bank Array of bank sites
//! \param[out] Whether any bank sites are outside the mesh
//! \return Array indicating number of sites in each mesh/energy bin
xt::xtensor<double, 1> count_sites(const Particle::Bank* bank,
int64_t length,
bool* outside) const;
xt::xtensor<double, 1> count_sites(
const ParticleBank* bank, int64_t length, bool* outside) const;
// Data members
double volume_frac_; //!< Volume fraction of each mesh element

424
include/openmc/particle.h
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@ -11,6 +11,7 @@
#include <vector>
#include "openmc/constants.h"
#include "openmc/particle_data.h"
#include "openmc/position.h"
#include "openmc/random_lcg.h"
#include "openmc/tallies/filter_match.h"
@ -22,173 +23,22 @@
namespace openmc {
//==============================================================================
// Constants
//==============================================================================
// Since cross section libraries come with different numbers of delayed groups
// (e.g. ENDF/B-VII.1 has 6 and JEFF 3.1.1 has 8 delayed groups) and we don't
// yet know what cross section library is being used when the tallies.xml file
// is read in, we want to have an upper bound on the size of the array we
// use to store the bins for delayed group tallies.
constexpr int MAX_DELAYED_GROUPS {8};
constexpr double CACHE_INVALID {-1.0};
//==============================================================================
// Class declarations
//==============================================================================
// Forward declare the Surface class for use in function arguments.
// Forward declare the Surface class for use in Particle::cross_vacuum_bc, etc.
class Surface;
class LocalCoord {
public:
void rotate(const std::vector<double>& rotation);
//! clear data from a single coordinate level
void reset();
Position r; //!< particle position
Direction u; //!< particle direction
int cell {-1};
int universe {-1};
int lattice {-1};
array<int, 3> lattice_i {-1, -1, -1};
bool rotated {false}; //!< Is the level rotated?
};
//==============================================================================
//! Cached microscopic cross sections for a particular nuclide at the current
//! energy
//==============================================================================
struct NuclideMicroXS {
// Microscopic cross sections in barns
double total; //!< total cross section
double absorption; //!< absorption (disappearance)
double fission; //!< fission
double nu_fission; //!< neutron production from fission
double elastic; //!< If sab_frac is not 1 or 0, then this value is
//!< averaged over bound and non-bound nuclei
double thermal; //!< Bound thermal elastic & inelastic scattering
double thermal_elastic; //!< Bound thermal elastic scattering
double photon_prod; //!< microscopic photon production xs
// Cross sections for depletion reactions (note that these are not stored in
// macroscopic cache)
double reaction[DEPLETION_RX.size()];
// Indicies and factors needed to compute cross sections from the data tables
int index_grid; //!< Index on nuclide energy grid
int index_temp; //!< Temperature index for nuclide
double interp_factor; //!< Interpolation factor on nuc. energy grid
int index_sab {-1}; //!< Index in sab_tables
int index_temp_sab; //!< Temperature index for sab_tables
double sab_frac; //!< Fraction of atoms affected by S(a,b)
bool use_ptable; //!< In URR range with probability tables?
// Energy and temperature last used to evaluate these cross sections. If
// these values have changed, then the cross sections must be re-evaluated.
double last_E {0.0}; //!< Last evaluated energy
double last_sqrtkT {0.0}; //!< Last temperature in sqrt(Boltzmann constant
//!< * temperature (eV))
};
//==============================================================================
//! Cached microscopic photon cross sections for a particular element at the
//! current energy
//==============================================================================
struct ElementMicroXS {
int index_grid; //!< index on element energy grid
double last_E {0.0}; //!< last evaluated energy in [eV]
double interp_factor; //!< interpolation factor on energy grid
double total; //!< microscopic total photon xs
double coherent; //!< microscopic coherent xs
double incoherent; //!< microscopic incoherent xs
double photoelectric; //!< microscopic photoelectric xs
double pair_production; //!< microscopic pair production xs
};
//==============================================================================
// MACROXS contains cached macroscopic cross sections for the material a
// particle is traveling through
//==============================================================================
struct MacroXS {
double total; //!< macroscopic total xs
double absorption; //!< macroscopic absorption xs
double fission; //!< macroscopic fission xs
double nu_fission; //!< macroscopic production xs
double photon_prod; //!< macroscopic photon production xs
// Photon cross sections
double coherent; //!< macroscopic coherent xs
double incoherent; //!< macroscopic incoherent xs
double photoelectric; //!< macroscopic photoelectric xs
double pair_production; //!< macroscopic pair production xs
};
//==============================================================================
// Information about nearest boundary crossing
//==============================================================================
struct BoundaryInfo {
double distance {INFINITY}; //!< distance to nearest boundary
int surface_index {0}; //!< if boundary is surface, index in surfaces vector
int coord_level; //!< coordinate level after crossing boundary
std::array<int, 3> lattice_translation {}; //!< which way lattice indices will change
};
//============================================================================
//! State of a particle being transported through geometry
//! This class defines actions particles can take. Its base
//! class defines particle data layout in memory.
//============================================================================
class Particle {
class Particle : public ParticleData {
public:
//==========================================================================
// Aliases and type definitions
//! Particle types
enum class Type {
neutron, photon, electron, positron
};
//! Saved ("banked") state of a particle
//! NOTE: This structure's MPI type is built in initialize_mpi() of
//! initialize.cpp. Any changes made to the struct here must also be
//! made when building the Bank MPI type in initialize_mpi().
//! NOTE: This structure is also used on the python side, and is defined
//! in lib/core.py. Changes made to the type here must also be made to the
//! python defintion.
struct Bank {
Position r;
Direction u;
double E;
double wgt;
int delayed_group;
int surf_id;
Type particle;
int64_t parent_id;
int64_t progeny_id;
};
//! Saved ("banked") state of a particle, for nu-fission tallying
struct NuBank {
double E; //!< particle energy
double wgt; //!< particle weight
int delayed_group; //!< particle delayed group
};
//==========================================================================
// Constructors
Particle();
//! resets all coordinate levels for the particle
void clear();
Particle() = default;
//! create a secondary particle
//
@ -198,7 +48,7 @@ public:
//! \param u Direction of the secondary particle
//! \param E Energy of the secondary particle in [eV]
//! \param type Particle type
void create_secondary(double wgt, Direction u, double E, Type type);
void create_secondary(double wgt, Direction u, double E, ParticleType type);
//! initialize from a source site
//
@ -206,7 +56,7 @@ public:
//! site may have been produced from an external source, from fission, or
//! simply as a secondary particle.
//! \param src Source site data
void from_source(const Bank* src);
void from_source(const ParticleBank* src);
// Coarse-grained particle events
void event_calculate_xs();
@ -255,269 +105,15 @@ public:
//! create a particle restart HDF5 file
void write_restart() const;
//! Gets the pointer to the particle's current PRN seed
uint64_t* current_seed() {return seeds_ + stream_;}
const uint64_t* current_seed() const {return seeds_ + stream_;}
//! Force recalculation of neutron xs by setting last energy to zero
void invalidate_neutron_xs()
{
for (auto& micro : neutron_xs_)
micro.last_E = 0.0;
}
private:
//==========================================================================
// Data members (accessor methods are below)
// Cross section caches
std::vector<NuclideMicroXS> neutron_xs_; //!< Microscopic neutron cross sections
std::vector<ElementMicroXS> photon_xs_; //!< Microscopic photon cross sections
MacroXS macro_xs_; //!< Macroscopic cross sections
int64_t id_; //!< Unique ID
Type type_ {Type::neutron}; //!< Particle type (n, p, e, etc.)
int n_coord_ {1}; //!< number of current coordinate levels
int cell_instance_; //!< offset for distributed properties
std::vector<LocalCoord> coord_; //!< coordinates for all levels
// Particle coordinates before crossing a surface
int n_coord_last_ {1}; //!< number of current coordinates
std::vector<int> cell_last_; //!< coordinates for all levels
// Energy data
double E_; //!< post-collision energy in eV
double E_last_; //!< pre-collision energy in eV
int g_ {0}; //!< post-collision energy group (MG only)
int g_last_; //!< pre-collision energy group (MG only)
// Other physical data
double wgt_ {1.0}; //!< particle weight
double mu_; //!< angle of scatter
bool alive_ {true}; //!< is particle alive?
// Other physical data
Position r_last_current_; //!< coordinates of the last collision or
//!< reflective/periodic surface crossing for
//!< current tallies
Position r_last_; //!< previous coordinates
Direction u_last_; //!< previous direction coordinates
double wgt_last_ {1.0}; //!< pre-collision particle weight
double wgt_absorb_ {0.0}; //!< weight absorbed for survival biasing
// What event took place
bool fission_ {false}; //!< did particle cause implicit fission
TallyEvent event_; //!< scatter, absorption
int event_nuclide_; //!< index in nuclides array
int event_mt_; //!< reaction MT
int delayed_group_ {0}; //!< delayed group
// Post-collision physical data
int n_bank_ {0}; //!< number of fission sites banked
int n_bank_second_ {0}; //!< number of secondary particles banked
double wgt_bank_ {0.0}; //!< weight of fission sites banked
int n_delayed_bank_[MAX_DELAYED_GROUPS]; //!< number of delayed fission
//!< sites banked
// Indices for various arrays
int surface_ {0}; //!< index for surface particle is on
int cell_born_ {-1}; //!< index for cell particle was born in
int material_ {-1}; //!< index for current material
int material_last_ {-1}; //!< index for last material
// Boundary information
BoundaryInfo boundary_;
// Temperature of current cell
double sqrtkT_ {-1.0}; //!< sqrt(k_Boltzmann * temperature) in eV
double sqrtkT_last_ {0.0}; //!< last temperature
// Statistical data
int n_collision_ {0}; //!< number of collisions
// Track output
bool write_track_ {false};
// Current PRNG state
uint64_t seeds_[N_STREAMS]; // current seeds
int stream_; // current RNG stream
// Secondary particle bank
std::vector<Particle::Bank> secondary_bank_;
int64_t current_work_; // current work index
std::vector<double> flux_derivs_; // for derivatives for this particle
std::vector<FilterMatch> filter_matches_; // tally filter matches
std::vector<std::vector<Position>> tracks_; // tracks for outputting to file
std::vector<NuBank> nu_bank_; // bank of most recently fissioned particles
// Global tally accumulators
double keff_tally_absorption_ {0.0};
double keff_tally_collision_ {0.0};
double keff_tally_tracklength_ {0.0};
double keff_tally_leakage_ {0.0};
bool trace_ {false}; //!< flag to show debug information
double collision_distance_; // distance to particle's next closest collision
int n_event_ {0}; // number of events executed in this particle's history
// DagMC state variables
#ifdef DAGMC
moab::DagMC::RayHistory history_;
Direction last_dir_;
#endif
int64_t n_progeny_ {0}; // Number of progeny produced by this particle
public:
//==========================================================================
// Methods and accessors
NuclideMicroXS& neutron_xs(const int& i) { return neutron_xs_[i]; }
const NuclideMicroXS& neutron_xs(const int& i) const
{
return neutron_xs_[i];
}
ElementMicroXS& photon_xs(const int& i) { return photon_xs_[i]; }
MacroXS& macro_xs() { return macro_xs_; }
const MacroXS& macro_xs() const { return macro_xs_; }
int64_t& id() { return id_; }
Type& type() { return type_; }
const Type& type() const { return type_; }
int& n_coord() { return n_coord_; }
const int& n_coord() const { return n_coord_; }
int& cell_instance() { return cell_instance_; }
const int& cell_instance() const { return cell_instance_; }
LocalCoord& coord(const int& i) { return coord_[i]; }
const LocalCoord& coord(const int& i) const { return coord_[i]; }
int& n_coord_last() { return n_coord_last_; }
const int& n_coord_last() const { return n_coord_last_; }
int& cell_last(const int& i) { return cell_last_[i]; }
const int& cell_last(const int& i) const { return cell_last_[i]; }
double& E() { return E_; }
const double& E() const { return E_; }
double& E_last() { return E_last_; }
const double& E_last() const { return E_last_; }
int& g() { return g_; }
const int& g() const { return g_; }
int& g_last() { return g_last_; }
const int& g_last() const { return g_last_; }
double& wgt() { return wgt_; }
double& mu() { return mu_; }
const double& mu() const { return mu_; }
bool& alive() { return alive_; }
Position& r_last_current() { return r_last_current_; }
const Position& r_last_current() const { return r_last_current_; }
Position& r_last() { return r_last_; }
const Position& r_last() const { return r_last_; }
Position& u_last() { return u_last_; }
const Position& u_last() const { return u_last_; }
double& wgt_last() { return wgt_last_; }
const double& wgt_last() const { return wgt_last_; }
double& wgt_absorb() { return wgt_absorb_; }
const double& wgt_absorb() const { return wgt_absorb_; }
bool& fission() { return fission_; }
TallyEvent& event() { return event_; }
const TallyEvent& event() const { return event_; }
int& event_nuclide() { return event_nuclide_; }
const int& event_nuclide() const { return event_nuclide_; }
int& event_mt() { return event_mt_; }
int& delayed_group() { return delayed_group_; }
int& n_bank() { return n_bank_; }
int& n_bank_second() { return n_bank_second_; }
double& wgt_bank() { return wgt_bank_; }
int* n_delayed_bank() { return n_delayed_bank_; }
int& n_delayed_bank(const int& i) { return n_delayed_bank_[i]; }
int& surface() { return surface_; }
const int& surface() const { return surface_; }
int& cell_born() { return cell_born_; }
const int& cell_born() const { return cell_born_; }
int& material() { return material_; }
const int& material() const { return material_; }
int& material_last() { return material_last_; }
BoundaryInfo& boundary() { return boundary_; }
double& sqrtkT() { return sqrtkT_; }
const double& sqrtkT() const { return sqrtkT_; }
double& sqrtkT_last() { return sqrtkT_last_; }
int& n_collision() { return n_collision_; }
const int& n_collision() const { return n_collision_; }
bool& write_track() { return write_track_; }
uint64_t& seeds(const int& i) { return seeds_[i]; }
uint64_t* seeds() { return seeds_; }
int& stream() { return stream_; }
Particle::Bank& secondary_bank(const int& i) { return secondary_bank_[i]; }
decltype(secondary_bank_)& secondary_bank() { return secondary_bank_; }
int64_t& current_work() { return current_work_; }
decltype(flux_derivs_)& flux_derivs() { return flux_derivs_; }
const decltype(flux_derivs_)& flux_derivs() const { return flux_derivs_; }
decltype(filter_matches_)& filter_matches() { return filter_matches_; }
FilterMatch& filter_matches(const int& i) { return filter_matches_[i]; }
decltype(tracks_)& tracks() { return tracks_; }
decltype(nu_bank_)& nu_bank() { return nu_bank_; }
NuBank& nu_bank(const int& i) { return nu_bank_[i]; }
double& keff_tally_absorption() { return keff_tally_absorption_; }
double& keff_tally_collision() { return keff_tally_collision_; }
double& keff_tally_tracklength() { return keff_tally_tracklength_; }
double& keff_tally_leakage() { return keff_tally_leakage_; }
bool& trace() { return trace_; }
double& collision_distance() { return collision_distance_; }
int& n_event() { return n_event_; }
#ifdef DAGMC
moab::DagMC::RayHistory& rayhistory() { return history_; }
Direction& last_dir() { return last_dir_; }
#endif
int64_t& n_progeny() { return n_progeny_; }
// Accessors for position in global coordinates
Position& r() { return coord_[0].r; }
const Position& r() const { return coord_[0].r; }
// Accessors for position in local coordinates
Position& r_local() { return coord_[n_coord_ - 1].r; }
const Position& r_local() const { return coord_[n_coord_ - 1].r; }
// Accessors for direction in global coordinates
Direction& u() { return coord_[0].u; }
const Direction& u() const { return coord_[0].u; }
// Accessors for direction in local coordinates
Direction& u_local() { return coord_[n_coord_ - 1].u; }
const Direction& u_local() const { return coord_[n_coord_ - 1].u; }
};
//============================================================================
//! Functions
//============================================================================
std::string particle_type_to_str(Particle::Type type);
std::string particle_type_to_str(ParticleType type);
Particle::Type str_to_particle_type(std::string str);
ParticleType str_to_particle_type(std::string str);
} // namespace openmc

451
include/openmc/particle_data.h Normal file
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@ -0,0 +1,451 @@
#ifndef OPENMC_PARTICLE_REPRESENTATION_H
#define OPENMC_PARTICLE_REPRESENTATION_H
#include "openmc/constants.h"
#include "openmc/position.h"
#include "openmc/random_lcg.h"
#include "openmc/tallies/filter_match.h"
#include <vector>
namespace openmc {
//==============================================================================
// Constants
//==============================================================================
// Since cross section libraries come with different numbers of delayed groups
// (e.g. ENDF/B-VII.1 has 6 and JEFF 3.1.1 has 8 delayed groups) and we don't
// yet know what cross section library is being used when the tallies.xml file
// is read in, we want to have an upper bound on the size of the array we
// use to store the bins for delayed group tallies.
constexpr int MAX_DELAYED_GROUPS {8};
constexpr double CACHE_INVALID {-1.0};
//==========================================================================
// Aliases and type definitions
//! Particle types
enum class ParticleType { neutron, photon, electron, positron };
//! Saved ("banked") state of a particle
//! NOTE: This structure's MPI type is built in initialize_mpi() of
//! initialize.cpp. Any changes made to the struct here must also be
//! made when building the Bank MPI type in initialize_mpi().
//! NOTE: This structure is also used on the python side, and is defined
//! in lib/core.py. Changes made to the type here must also be made to the
//! python defintion.
struct ParticleBank {
Position r;
Direction u;
double E;
double wgt;
int delayed_group;
int surf_id;
ParticleType particle;
int64_t parent_id;
int64_t progeny_id;
};
//! Saved ("banked") state of a particle, for nu-fission tallying
struct NuBank {
double E; //!< particle energy
double wgt; //!< particle weight
int delayed_group; //!< particle delayed group
};
class LocalCoord {
public:
void rotate(const std::vector<double>& rotation);
//! clear data from a single coordinate level
void reset();
Position r; //!< particle position
Direction u; //!< particle direction
int cell {-1};
int universe {-1};
int lattice {-1};
int lattice_x {-1};
int lattice_y {-1};
int lattice_z {-1};
bool rotated {false}; //!< Is the level rotated?
};
//==============================================================================
//! Cached microscopic cross sections for a particular nuclide at the current
//! energy
//==============================================================================
struct NuclideMicroXS {
// Microscopic cross sections in barns
double total; //!< total cross section
double absorption; //!< absorption (disappearance)
double fission; //!< fission
double nu_fission; //!< neutron production from fission
double elastic; //!< If sab_frac is not 1 or 0, then this value is
//!< averaged over bound and non-bound nuclei
double thermal; //!< Bound thermal elastic & inelastic scattering
double thermal_elastic; //!< Bound thermal elastic scattering
double photon_prod; //!< microscopic photon production xs
// Cross sections for depletion reactions (note that these are not stored in
// macroscopic cache)
double reaction[DEPLETION_RX.size()];
// Indicies and factors needed to compute cross sections from the data tables
int index_grid; //!< Index on nuclide energy grid
int index_temp; //!< Temperature index for nuclide
double interp_factor; //!< Interpolation factor on nuc. energy grid
int index_sab {-1}; //!< Index in sab_tables
int index_temp_sab; //!< Temperature index for sab_tables
double sab_frac; //!< Fraction of atoms affected by S(a,b)
bool use_ptable; //!< In URR range with probability tables?
// Energy and temperature last used to evaluate these cross sections. If
// these values have changed, then the cross sections must be re-evaluated.
double last_E {0.0}; //!< Last evaluated energy
double last_sqrtkT {0.0}; //!< Last temperature in sqrt(Boltzmann constant
//!< * temperature (eV))
};
//==============================================================================
//! Cached microscopic photon cross sections for a particular element at the
//! current energy
//==============================================================================
struct ElementMicroXS {
int index_grid; //!< index on element energy grid
double last_E {0.0}; //!< last evaluated energy in [eV]
double interp_factor; //!< interpolation factor on energy grid
double total; //!< microscopic total photon xs
double coherent; //!< microscopic coherent xs
double incoherent; //!< microscopic incoherent xs
double photoelectric; //!< microscopic photoelectric xs
double pair_production; //!< microscopic pair production xs
};
//==============================================================================
// MacroXS contains cached macroscopic cross sections for the material a
// particle is traveling through
//==============================================================================
struct MacroXS {
double total; //!< macroscopic total xs
double absorption; //!< macroscopic absorption xs
double fission; //!< macroscopic fission xs
double nu_fission; //!< macroscopic production xs
double photon_prod; //!< macroscopic photon production xs
// Photon cross sections
double coherent; //!< macroscopic coherent xs
double incoherent; //!< macroscopic incoherent xs
double photoelectric; //!< macroscopic photoelectric xs
double pair_production; //!< macroscopic pair production xs
};
//==============================================================================
// Information about nearest boundary crossing
//==============================================================================
struct BoundaryInfo {
double distance {INFINITY}; //!< distance to nearest boundary
int surface_index {0}; //!< if boundary is surface, index in surfaces vector
int coord_level; //!< coordinate level after crossing boundary
std::array<int, 3>
lattice_translation {}; //!< which way lattice indices will change
};
//============================================================================
//! Defines how particle data is laid out in memory
//============================================================================
class ParticleData {
public:
ParticleData();
private:
//==========================================================================
// Data members (accessor methods are below)
// Cross section caches
std::vector<NuclideMicroXS>
neutron_xs_; //!< Microscopic neutron cross sections
std::vector<ElementMicroXS> photon_xs_; //!< Microscopic photon cross sections
MacroXS macro_xs_; //!< Macroscopic cross sections
int64_t id_; //!< Unique ID
ParticleType type_ {ParticleType::neutron}; //!< Particle type (n, p, e, etc.)
int n_coord_ {1}; //!< number of current coordinate levels
int cell_instance_; //!< offset for distributed properties
std::vector<LocalCoord> coord_; //!< coordinates for all levels
// Particle coordinates before crossing a surface
int n_coord_last_ {1}; //!< number of current coordinates
std::vector<int> cell_last_; //!< coordinates for all levels
// Energy data
double E_; //!< post-collision energy in eV
double E_last_; //!< pre-collision energy in eV
int g_ {0}; //!< post-collision energy group (MG only)
int g_last_; //!< pre-collision energy group (MG only)
// Other physical data
double wgt_ {1.0}; //!< particle weight
double mu_; //!< angle of scatter
bool alive_ {true}; //!< is particle alive?
// Other physical data
Position r_last_current_; //!< coordinates of the last collision or
//!< reflective/periodic surface crossing for
//!< current tallies
Position r_last_; //!< previous coordinates
Direction u_last_; //!< previous direction coordinates
double wgt_last_ {1.0}; //!< pre-collision particle weight
double wgt_absorb_ {0.0}; //!< weight absorbed for survival biasing
// What event took place
bool fission_ {false}; //!< did particle cause implicit fission
TallyEvent event_; //!< scatter, absorption
int event_nuclide_; //!< index in nuclides array
int event_mt_; //!< reaction MT
int delayed_group_ {0}; //!< delayed group
// Post-collision physical data
int n_bank_ {0}; //!< number of fission sites banked
int n_bank_second_ {0}; //!< number of secondary particles banked
double wgt_bank_ {0.0}; //!< weight of fission sites banked
int n_delayed_bank_[MAX_DELAYED_GROUPS]; //!< number of delayed fission
//!< sites banked
// Indices for various arrays
int surface_ {0}; //!< index for surface particle is on
int cell_born_ {-1}; //!< index for cell particle was born in
int material_ {-1}; //!< index for current material
int material_last_ {-1}; //!< index for last material
// Boundary information
BoundaryInfo boundary_;
// Temperature of current cell
double sqrtkT_ {-1.0}; //!< sqrt(k_Boltzmann * temperature) in eV
double sqrtkT_last_ {0.0}; //!< last temperature
// Statistical data
int n_collision_ {0}; //!< number of collisions
// Track output
bool write_track_ {false};
// Current PRNG state
uint64_t seeds_[N_STREAMS]; // current seeds
int stream_; // current RNG stream
// Secondary particle bank
std::vector<ParticleBank> secondary_bank_;
int64_t current_work_; // current work index
std::vector<double> flux_derivs_; // for derivatives for this particle
std::vector<FilterMatch> filter_matches_; // tally filter matches
std::vector<std::vector<Position>> tracks_; // tracks for outputting to file
std::vector<NuBank> nu_bank_; // bank of most recently fissioned particles
// Global tally accumulators
double keff_tally_absorption_ {0.0};
double keff_tally_collision_ {0.0};
double keff_tally_tracklength_ {0.0};
double keff_tally_leakage_ {0.0};
bool trace_ {false}; //!< flag to show debug information
double collision_distance_; // distance to particle's next closest collision
int n_event_ {0}; // number of events executed in this particle's history
// DagMC state variables
#ifdef DAGMC
moab::DagMC::RayHistory history_;
Direction last_dir_;
#endif
int64_t n_progeny_ {0}; // Number of progeny produced by this particle
public:
//==========================================================================
// Methods and accessors
NuclideMicroXS& neutron_xs(const int& i) { return neutron_xs_[i]; }
const NuclideMicroXS& neutron_xs(const int& i) const
{
return neutron_xs_[i];
}
ElementMicroXS& photon_xs(const int& i) { return photon_xs_[i]; }
MacroXS& macro_xs() { return macro_xs_; }
const MacroXS& macro_xs() const { return macro_xs_; }
int64_t& id() { return id_; }
const int64_t& id() const { return id_; }
ParticleType& type() { return type_; }
const ParticleType& type() const { return type_; }
int& n_coord() { return n_coord_; }
const int& n_coord() const { return n_coord_; }
int& cell_instance() { return cell_instance_; }
const int& cell_instance() const { return cell_instance_; }
LocalCoord& coord(const int& i) { return coord_[i]; }
const LocalCoord& coord(const int& i) const { return coord_[i]; }
int& n_coord_last() { return n_coord_last_; }
const int& n_coord_last() const { return n_coord_last_; }
int& cell_last(const int& i) { return cell_last_[i]; }
const int& cell_last(const int& i) const { return cell_last_[i]; }
double& E() { return E_; }
const double& E() const { return E_; }
double& E_last() { return E_last_; }
const double& E_last() const { return E_last_; }
int& g() { return g_; }
const int& g() const { return g_; }
int& g_last() { return g_last_; }
const int& g_last() const { return g_last_; }
double& wgt() { return wgt_; }
double& mu() { return mu_; }
const double& mu() const { return mu_; }
bool& alive() { return alive_; }
Position& r_last_current() { return r_last_current_; }
const Position& r_last_current() const { return r_last_current_; }
Position& r_last() { return r_last_; }
const Position& r_last() const { return r_last_; }
Position& u_last() { return u_last_; }
const Position& u_last() const { return u_last_; }
double& wgt_last() { return wgt_last_; }
const double& wgt_last() const { return wgt_last_; }
double& wgt_absorb() { return wgt_absorb_; }
const double& wgt_absorb() const { return wgt_absorb_; }
bool& fission() { return fission_; }
TallyEvent& event() { return event_; }
const TallyEvent& event() const { return event_; }
int& event_nuclide() { return event_nuclide_; }
const int& event_nuclide() const { return event_nuclide_; }
int& event_mt() { return event_mt_; }
int& delayed_group() { return delayed_group_; }
int& n_bank() { return n_bank_; }
int& n_bank_second() { return n_bank_second_; }
double& wgt_bank() { return wgt_bank_; }
int* n_delayed_bank() { return n_delayed_bank_; }
int& n_delayed_bank(const int& i) { return n_delayed_bank_[i]; }
int& surface() { return surface_; }
const int& surface() const { return surface_; }
int& cell_born() { return cell_born_; }
const int& cell_born() const { return cell_born_; }
int& material() { return material_; }
const int& material() const { return material_; }
int& material_last() { return material_last_; }
BoundaryInfo& boundary() { return boundary_; }
double& sqrtkT() { return sqrtkT_; }
const double& sqrtkT() const { return sqrtkT_; }
double& sqrtkT_last() { return sqrtkT_last_; }
int& n_collision() { return n_collision_; }
const int& n_collision() const { return n_collision_; }
bool& write_track() { return write_track_; }
uint64_t& seeds(const int& i) { return seeds_[i]; }
uint64_t* seeds() { return seeds_; }
int& stream() { return stream_; }
ParticleBank& secondary_bank(const int& i) { return secondary_bank_[i]; }
decltype(secondary_bank_)& secondary_bank() { return secondary_bank_; }
int64_t& current_work() { return current_work_; }
const int64_t& current_work() const { return current_work_; }
double& flux_derivs(const int& i) { return flux_derivs_[i]; }
const double& flux_derivs(const int& i) const { return flux_derivs_[i]; }
decltype(filter_matches_)& filter_matches() { return filter_matches_; }
FilterMatch& filter_matches(const int& i) { return filter_matches_[i]; }
decltype(tracks_)& tracks() { return tracks_; }
decltype(nu_bank_)& nu_bank() { return nu_bank_; }
NuBank& nu_bank(const int& i) { return nu_bank_[i]; }
double& keff_tally_absorption() { return keff_tally_absorption_; }
double& keff_tally_collision() { return keff_tally_collision_; }
double& keff_tally_tracklength() { return keff_tally_tracklength_; }
double& keff_tally_leakage() { return keff_tally_leakage_; }
bool& trace() { return trace_; }
double& collision_distance() { return collision_distance_; }
int& n_event() { return n_event_; }
#ifdef DAGMC
moab::DagMC::RayHistory& rayhistory() { return history_; }
Direction& last_dir() { return last_dir_; }
#endif
int64_t& n_progeny() { return n_progeny_; }
// Accessors for position in global coordinates
Position& r() { return coord_[0].r; }
const Position& r() const { return coord_[0].r; }
// Accessors for position in local coordinates
Position& r_local() { return coord_[n_coord_ - 1].r; }
const Position& r_local() const { return coord_[n_coord_ - 1].r; }
// Accessors for direction in global coordinates
Direction& u() { return coord_[0].u; }
const Direction& u() const { return coord_[0].u; }
// Accessors for direction in local coordinates
Direction& u_local() { return coord_[n_coord_ - 1].u; }
const Direction& u_local() const { return coord_[n_coord_ - 1].u; }
//! Gets the pointer to the particle's current PRN seed
uint64_t* current_seed() { return seeds_ + stream_; }
const uint64_t* current_seed() const { return seeds_ + stream_; }
//! Force recalculation of neutron xs by setting last energy to zero
void invalidate_neutron_xs()
{
for (auto& micro : neutron_xs_)
micro.last_E = 0.0;
}
//! resets all coordinate levels for the particle
void clear()
{
for (auto& level : coord_)
level.reset();
n_coord_ = 1;
}
void zero_delayed_bank()
{
for (int& n : n_delayed_bank_) {
n = 0;
}
}
void zero_flux_derivs()
{
for (double& d : flux_derivs_) {
d = 0;
}
}
};
} // namespace openmc
#endif // OPENMC_PARTICLE_REPRESENTATION_H

2
include/openmc/physics.h
View file

@ -81,7 +81,7 @@ Direction sample_cxs_target_velocity(double awr, double E, Direction u, double k
uint64_t* seed);
void sample_fission_neutron(int i_nuclide, const Reaction& rx, double E_in,
Particle::Bank* site, uint64_t* seed);
ParticleBank* site, uint64_t* seed);
//! handles all reactions with a single secondary neutron (other than fission),
//! i.e. level scattering, (n,np), (n,na), etc.

2
include/openmc/reaction_product.h
View file

@ -45,7 +45,7 @@ public:
//! \param[inout] seed Pseudorandom seed pointer
void sample(double E_in, double& E_out, double& mu, uint64_t* seed) const;
Particle::Type particle_; //!< Particle type
ParticleType particle_; //!< Particle type
EmissionMode emission_mode_; //!< Emission mode
double decay_rate_; //!< Decay rate (for delayed neutron precursors) in [1/s]
std::unique_ptr<Function1D> yield_; //!< Yield as a function of energy

3
include/openmc/simulation.h
View file

@ -69,9 +69,6 @@ void initialize_generation();
//! Full initialization of a particle history
void initialize_history(Particle& p, int64_t index_source);
//! Helper function for initialize_history() that is called independently elsewhere
void initialize_history_partial(Particle& p);
//! Finalize a batch
//!
//! Handles synchronization and accumulation of tallies, calculation of Shannon

16
include/openmc/source.h
View file

@ -36,7 +36,7 @@ public:
virtual ~Source() = default;
// Methods that must be implemented
virtual Particle::Bank sample(uint64_t* seed) const = 0;
virtual ParticleBank sample(uint64_t* seed) const = 0;
// Methods that can be overridden
virtual double strength() const { return 1.0; }
@ -55,10 +55,10 @@ public:
//! Sample from the external source distribution
//! \param[inout] seed Pseudorandom seed pointer
//! \return Sampled site
Particle::Bank sample(uint64_t* seed) const override;
ParticleBank sample(uint64_t* seed) const override;
// Properties
Particle::Type particle_type() const { return particle_; }
ParticleType particle_type() const { return particle_; }
double strength() const override { return strength_; }
// Make observing pointers available
@ -67,7 +67,7 @@ public:
Distribution* energy() const { return energy_.get(); }
private:
Particle::Type particle_ {Particle::Type::neutron}; //!< Type of particle emitted
ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
double strength_ {1.0}; //!< Source strength
UPtrSpace space_; //!< Spatial distribution
UPtrAngle angle_; //!< Angular distribution
@ -84,10 +84,10 @@ public:
explicit FileSource(std::string path);
// Methods
Particle::Bank sample(uint64_t* seed) const override;
ParticleBank sample(uint64_t* seed) const override;
private:
std::vector<Particle::Bank> sites_; //!< Source sites from a file
std::vector<ParticleBank> sites_; //!< Source sites from a file
};
//==============================================================================
@ -101,7 +101,7 @@ public:
~CustomSourceWrapper();
// Defer implementation to custom source library
Particle::Bank sample(uint64_t* seed) const override
ParticleBank sample(uint64_t* seed) const override
{
return custom_source_->sample(seed);
}
@ -125,7 +125,7 @@ extern "C" void initialize_source();
//! source strength
//! \param[inout] seed Pseudorandom seed pointer
//! \return Sampled source site
Particle::Bank sample_external_source(uint64_t* seed);
ParticleBank sample_external_source(uint64_t* seed);
void free_memory_source();

3
include/openmc/state_point.h
View file

@ -15,7 +15,8 @@ void load_state_point();
std::vector<int64_t> calculate_surf_source_size();
void write_source_point(const char* filename, bool surf_source_bank = false);
void write_source_bank(hid_t group_id, bool surf_source_bank);
void read_source_bank(hid_t group_id, std::vector<Particle::Bank>& sites, bool distribute);
void read_source_bank(
hid_t group_id, std::vector<ParticleBank>& sites, bool distribute);
void write_tally_results_nr(hid_t file_id);
void restart_set_keff();
void write_unstructured_mesh_results();

6
include/openmc/tallies/filter_particle.h
View file

@ -37,15 +37,15 @@ public:
//----------------------------------------------------------------------------
// Accessors
const std::vector<Particle::Type>& particles() const { return particles_; }
const std::vector<ParticleType>& particles() const { return particles_; }
void set_particles(gsl::span<Particle::Type> particles);
void set_particles(gsl::span<ParticleType> particles);
private:
//----------------------------------------------------------------------------
// Data members
std::vector<Particle::Type> particles_;
std::vector<ParticleType> particles_;
};
} // namespace openmc