Problem definition

Celeritas contains several high-level “parameter” classes that allow setup-time access to problem data. These classes all correspond directly to “TrackView” classes (see the developer documentation for details).

class MaterialParams : public celeritas::ParamsDataInterface<MaterialParamsData>

Manage material, element, and nuclide properties.

Materials in Celeritas currently correspond to “material cut couples” in Geant4, i.e. the outer product of geometry model-defined materials and user-defined physics regions.

Todo:

Replace id_to_label etc. with direct access to LabelIdMultiMap

Split into nuclide/element/geo material

class ParticleParams : public celeritas::ParamsDataInterface<ParticleParamsData>

Data management for Standard Model particle classifications.

This class represents “per-problem” shared data about standard model particles being used.

The ParticleParams is constructed on the host with a vector that combines metadata (used for debugging output and interfacing with physics setup) and data (used for on-device transport). Each entry in the construction is assigned a unique ParticleId used for runtime access. See celeritas::PDGNumber for details on the PDG code used during construction.

class PhysicsParams : public celeritas::ParamsDataInterface<PhysicsParamsData>

Manage physics processes and models.

The physics params takes a vector of processes and sets up the processes and models. It constructs data and mappings of data:

  • particle type and process to tabulated values of cross sections etc,

  • particle type to applicable processes

During construction it constructs models and their corresponding list of ActionId values, as well as the tables of cross section data. Besides the individual interaction kernels, the physics parameters manage additional actions:

  • ”pre-step”: calculate physics step limits

  • ”along-step”: propagate, apply energy loss, multiple scatter

  • ”range”: limit step by energy loss

  • ”discrete-select”: sample a process for a discrete interaction, or reject due to integral cross sectionl

  • ”integral-rejected”: do not apply a discrete interaction

  • ”failure”: interactor failed to allocate secondaries

class CutoffParams : public celeritas::ParamsDataInterface<CutoffParamsData>

Management particle and material cutoffs.

Geant4 provides accessors to its production cuts from its G4MaterialCutsCouple class, which couples cutoff and material data. During import, for simplicity, G4’s production cuts are stored alongside the material information, in ImportPhysMaterial . Since this is a direct import, the cutoff map in ImportPhysMaterial stores only the cuts available in Geant4, i.e. only values for gammas, electrons, positrons, and protons.

In Celeritas, particle cutoff is stored contiguously in a single vector of size num_particles * num_materials, which stores all particle cutoffs for all materials. During import, any particle that is not in Geant4’s list receives a zero cutoff value. This opens the possibility to expand cutoffs in the future, when data is not imported anymore.

The Input structure provides a failsafe mechanism to construct the host/device data.

Some processes (e.g. photoelectric effect, decay) can produce secondaries below the production threshold, while others (e.g. bremsstrahlung, ionization) use the production cut as their intrinsic limit. By default all of these secondaries are transported, even if their energy is below the threshold. If the apply_post_interaction option is enabled, any secondary photon, electron, or positron with energy below the cutoff will be killed (the flag will be ignored for other particle types).

Setting up problems

Problem data is specified from applications and the Geant4 user interface using the Input API and loaded through “importers”. Currently, Celeritas relies on Geant4 and external Geant4 data files for its setup.

Standalone execution

Standalone execution describes how to set up Geant4 physics and what events to run.

struct StandaloneInput

Celeritas setup for standalone apps.

The order of initialization and loading (see celeritas::setup::Problem ) follows the member declarations:

  • System attributes (GPU activation etc.) are set first

  • Problem info is loaded

  • Geant4 is initialized (if not using full ROOT data)

  • Geant4 data is loaded (also if not using full ROOT)

  • External Geant4 data files (such as EM LOW) are loaded

  • Optional control/diagnostic overrides are loaded

  • Events are loaded

The input Problem can be an embedded struct or a path to a file to import.

Public Members

System system

System attributes.

Problem problem

Base problem options and input data.

std::optional<GeantSetup> geant_setup

Set up Geant4 (if all the data isn’t already loaded into Problem)

std::variant<PhysicsFromGeant, PhysicsFromFile> physics_import

Whether using Geant4 or loading from ROOT.

Events events

Primary particles.

Standalone inputs must also specify the mechanism for loading primary particles. The events field is a variant that can be one of these structures:

struct PrimaryGenerator

Generate from a hardcoded distribution of primary particles.

Todo:

move num_events to StandaloneInput

Subclassed by celeritas::inp::CorePrimaryGenerator

Public Functions

inline explicit operator bool() const

True if there’s at least one primary.

Public Members

size_type num_events = {}

Number of events to generate.

size_type primaries_per_event = {}

Number of primaries per event.

ShapeDistribution shape

Distribution for sampling spatial component (position)

AngleDistribution angle

Distribution for sampling angular component (direction)

EnergyDistribution energy

Distribution for sampling source energy.

struct SampleFileEvents

Sample random events from an input file.

Todo:

move num_events to StandaloneInput

Public Members

size_type num_events = {}

Total number of events to sample.

size_type num_merged = {}

File events per sampled event.

std::string event_file

ROOT file input.

unsigned int seed = {}

Random number generator seed.

struct ReadFileEvents

Read all events from the given file.

The primary generator, similar to Geant4’s “particle gun”, has different configuration options:

using celeritas::inp::Events = std::variant<CorePrimaryGenerator, SampleFileEvents, ReadFileEvents>

Mechanism for generating events for tracking.

using celeritas::inp::ShapeDistribution = std::variant<PointDistribution, UniformBoxDistribution>

Choose a spatial distribution for the primary generator.

using celeritas::inp::AngleDistribution = std::variant<IsotropicDistribution, MonodirectionalDistribution>

Choose an angular distribution for the primary generator.

using celeritas::inp::EnergyDistribution = MonoenergeticDistribution

Choose an energy distribution for the primary generator.

struct PointDistribution

Generate at a single point.

struct UniformBoxDistribution

Sample uniformly in a box.

struct IsotropicDistribution

Generate angles isotropically.

struct MonodirectionalDistribution

Generate angles in a single direction.

struct MonoenergeticDistribution

Generate primaries at a single energy value.

User application/framework

User applications define the system configuration, as well as what Celeritas physics to enable (via GeantImport). Additional custom physics can be added via the adjuster parameter to set or change any loaded data.

struct FrameworkInput

Describe how to import data into celeritas via an Input data structure.

The order of initialization and loading follows the member declarations:

  • System attributes (GPU activation etc.) are set

  • Geant4 data is imported

  • External Geant4 data files (such as EM LOW) are loaded

  • Optional framework-defined adjustments are applied

    Todo:

    Add an input option for kill_offload/disable

Public Members

System system

Base system configuration.

PhysicsFromGeant physics_import

Configure what data to load from Geant4.

std::function<void(Problem&)> adjust

User application/framework-defined adjustments.

Loading data into Celeritas

Import options are read in to load problem input from various sources.

struct PhysicsFromFile

Load physics data from a ROOT file.

Todo:

This should be replaced with a “ProblemFromFile” that supports ROOT or JSON. Currently it loads directly into ImportData as a stopgap. We may also want to completely replace ROOT.

Public Members

std::string input

Path to the problem input file.

struct PhysicsFromGeant

Options for importing data from in-memory Geant4.

Todo:

  • Use “offload particle types” (variant: grouping, G4PD*, PDG)

  • Load all processes applicable to offload particles

  • Determine particle list from process->secondary mapping

  • Always load interpolation flags; clear them elsewhere if user wants to

  • Load all materials visible to geometry (and eventually fix PhysMatId vs GeoMatId)

Public Members

std::vector<std::string> ignore_processes

Do not use Celeritas physics for the given Geant4 process names.

GeantImportDataSelection data_selection

Only import a subset of available Geant4 data.

struct PhysicsFromGeantFiles

Options for loading cross section data from Geant4 data files.

Todo:

Since Geant4 data structures don’t provide access to these, we must read them ourselves. Maybe add accessors to Geant4 and eliminate these/roll them upstream?

Defaults:

  • livermore_dir: usually $G4LEDATA/livermore/phot_epics2014

  • neutron_dir: usually $G4PARTICLEXSDATA/neutron

  • fluor_dir: usually $G4LEDATA/fluor

  • auger_dir: usually $G4LEDATA/auger

Public Members

std::string livermore_dir

Livermore photoelectric data directory.

std::string neutron_dir

Neutron cross section data directory.

std::string fluor_dir

Fluorescence transition probabilities and subshells.

std::string auger_dir

Auger transition probabilities.

Setup

namespace setup

Configure a Celeritas problem from input data.

This implementation detail is how celeritas::inp data is used to construct all the main Celeritas objects.

Todo:

This will change to load data into a Problem, not ImportData. Currently we need to fill tables and base what gets loaded on the existing processes.

Functions

std::vector<std::vector<Primary>> events(inp::Events const &e, std::shared_ptr<ParticleParams const> const &particles)

Load events from a file.

FrameworkLoaded framework_input(inp::FrameworkInput &fi)

Completely set up a Celeritas problem from a framework input.

void physics_from(inp::PhysicsFromFile const &pff, ImportData &imported)

Load all physics data from a ROOT file.

void physics_from(inp::PhysicsFromGeant const &pfg, ImportData &imported)

Load from Geant4 in memory.

void physics_from(inp::PhysicsFromGeantFiles const &pfgf, ImportData &imported)

Load from Geant4 data files.

Based on what elements and processes are in the import data, this will load data from the input physics files.

ModelLoaded model(inp::Model const &m)

Load a core geometry model.

This is for unit tests and as an implementation detail of problem.

ProblemLoaded problem(inp::Problem const &p, ImportData const &imported)

Create “core params” from a problem definition and import data.

Conceivably we could rename “core params” someday.

Todo:

Consolidate import data into the problem definition.

Migrate the class “Input”/”Option” code into the class itself, using the inp namespace definition.

StandaloneLoaded standalone_input(inp::StandaloneInput &si)

Completely set up a Celeritas problem from a standalone input.

void system(inp::System const &sys)

Set up low level system properties.

For Celeritas runs, this should be set up before anything else.

struct FrameworkLoaded

Result from loaded standalone input to be used in front-end apps.

struct ModelLoaded

Result from loaded model input to be used in unit tests.

struct ProblemLoaded

Result from loaded standalone input to be used in front-end apps.

Temporary: to be used downstream

Todo:

These should be refactored: should be built in Problem

struct StandaloneLoaded

Result from loaded standalone input to be used in front-end apps.