Series 0.5

Version 0.5.0

Released 2024/10/07

Version 0.5.0 is a major update to Celeritas featuring:

• Numerous performance improvements

• Automatic Geant4-to-ORANGE geometry translation

• Single coulomb scattering process and improved MSC options

• Rasterization using any navigation engine with celer-geo

Several major new capabilities are at an experimental, proof-of-concept level of readiness and reach prototype stage during the v0.5 series:

• Optical photon generation and physics

• Muon physics

• High-energy neutron physics

A few minor features are noteworthy:

• Improved error detection and output

• New diagnostic output for slots and steps

• Support for native CLHEP or SI unit systems

• CPU profiling available through Perfetto

• Support for saving and loading offloaded primaries via ROOT

Major infrastructure changes include:

• Nlohmann JSON is now required (downloaded automatically if unavailable)

• SWIG wrappers have been removed

• More granular CMake options are available for threading model and debugging

The release includes the following changes, plus all features and bug fixes from v0.4.4.

New features

• Add Cerenkov distribution and generator (@amandalund, #1080)

• Add specialized “permutation” transform (@sethrj, #1077)

• Add CSG unit and unit builder (@sethrj, #1079)

• Define unit traits and support arbitrary RZ field map units (@sethrj, #1088)

• Add ScintillationGenerator and related data structures (@whokion, #1086)

• Add bounding box utilities for output and upcoming ORANGE work (@sethrj, #1092)

• Support native CLHEP unit system (@sethrj, #1085)

• Add bounding zone (@sethrj, #1093)

• Support importing optical properties from Geant4 (@amandalund, #1103)

• Reduce number of Geant4 libraries linked in G4VG and elsewhere (@sethrj, #1109)

• Add deduplicating transform inserter (@sethrj, #1112)

• Add Wentzel OK&VI transport cross section calculator (@amandalund, #1116)

• Add convex surface builder (@sethrj, #1113)

• Add Cerenkov pre-generator (@stognini, #1108)

• Add infix string builder (@sethrj, #1121)

• Implement convex regions (@sethrj, #1119)

• Implement second-order convex regions (@sethrj, #1125)

• Add shape and volume builder (@sethrj, #1126)

• Add ORANGE, geocel, and file layout documentation (@sethrj, #1134)

• Add transformed object construction (@sethrj, #1128)

• Add CSG operations on objects (@sethrj, #1130)

• Add transform simplifier (@sethrj, #1131)

• Add JSON output for CSG objects (@sethrj, #1133)

• Add CSG wedge and helper functions (@sethrj, #1142)

• Add neutron elastic scattering physics (@whokion, #1120)

• Add CSG solids (@sethrj, #1137)

• Add a common macroscopic cross section calculator (@whokion, #1145)

• Add “minimal” and “safety plus” Urban MSC step limit algorithms (@amandalund, #1146)

• Import scintillation particle data (@stognini, #1151)

• Add proto-universe and CSG Unit construction (@sethrj, #1148)

• Add utilities for building UnitInput from CsgTree (@sethrj, #1155)

• Import WLS data for optical photons (@stognini, #1165)

• Add Parallelepiped shape (@mrguilima, #1161)

• Add particle scintillation data to ScintillationParams; Add ScintillationPreGenerator (@stognini, #1153)

• Complete ORANGE construction from CSG objects (@sethrj, #1166)

• Add minimal version of GenTrap (Arb8) shape (@mrguilima, #1171)

• Add sense evaluator for testing (@sethrj, #1168)

• Add additional ObjectInterface and orangeinp helpers (@sethrj, #1174)

• Add conversion of Geant4 transforms and basic solids to ORANGE (@sethrj, #1169)

• Implement G4Sphere conversion (@sethrj, #1177)

• Convert Geant4 logical and physical volumes (@sethrj, #1170)

• Add optical generator data and update pre-generators (@amandalund, #1182)

• Construct proto-universe hierarchy from converted volumes (@sethrj, #1179)

• Add actions and executors for generating optical distribution data (@amandalund, #1184)

• Complete GDML-to-ORANGE geometry converter (@sethrj, #1180)

• Add optical collector for generating scintillation and Cerenkov distribution data (@amandalund, #1173)

• Parse log levels from Geant4 scoped logger (@sethrj, #1189)

• Add neutron inelastic process (@whokion, #1187)

• Add basic raytrace components (@sethrj, #1194)

• Add Windows/Linux no-dependency builds (@sethrj, #1196)

• Add optical track data classes (@sethrj, #1163)

• Add generic CPU/GPU raytracer for rasterizing (@sethrj, #1191)

• Add ORANGE converters for G4Trap and G4GenericTrap (@mrguilima, #1213)

• Add celer-geo app for visualizing geometry (@sethrj, #1201)

• Add ORANGE converter for G4Trd (@mrguilima, #1218)

• Add configure-time CELERITAS_OPENMP switch to change threading (@sethrj, #1222)

• Make accel “auto flush” threshold configurable (@amandalund, #1231)

• Support twisted sides for the gentrap shape (@mrguilima, #1232)

• Improve transport of single track on CPU (@esseivaju, #1235)

• Add option to specify maximum number of substeps in field propagator (@amandalund, #1236)

• Add custom FTFP BERT physics list with Celeritas EM physics constructor (@amandalund, #1242)

• Add external bounding box to generic trapezoid (@sethrj, #1244)

• Add RootPrimaryGenerator sampler to celer-sim (@stognini, #1228)

• Support combined single and multiple Coulomb scattering (@amandalund, #1230)

• Add support for using the build directory as an installation (@sethrj, #1249)

• Implement polycone (@sethrj, #1247)

• Add polyprism (G4Polyhedra) (@sethrj, #1251)

• Integrate Perfetto as backend for ScopedProfiling (@esseivaju, #1238)

• Import and add nuclear binding energy to isotopes (@whokion, #1258)

• Write converted object and CSG metadata for debugging (@sethrj, #1259)

• Add nuclear zone data (@whokion, #1269)

• Improve HGCal build performance by a factor of 10 using surface hashing (@sethrj, #1183)

• Add auxiliary extensible params and state (@sethrj, #1278)

• Check units in JSON input (@sethrj, #1283)

• Add Wentzel macro xs calculator and fix a_sq_factor (@amandalund, #1274)

• Implement infix evaluator (@esseivaju, #1286)

• Differentiate “geometry” from “physics” materials in ImportData (@sethrj, #1288)

• Add Bethe-Bloch muon ionization model (@amandalund, #1291)

• Add new track status and support user “initialization” (@sethrj, #1294)

• Add detailed error checking for action sequence behavior (@sethrj, #1303)

• Add debug output for track states (@sethrj, #1304)

• Add “tracking cut” to handle errors and kill tracks (@sethrj, #1311)

• Add Bragg and ICRU73QO ionization models (@amandalund, #1309)

• Detect and gracefully handle ORANGE geometry errors during tracking (@sethrj, #1316)

• Add Regula Falsi root solver (@VHLM2001, #1324)

• Add cascade collider (@whokion, #1326)

• Support degenerate faces for “GenTrap” and rename to GenPrism (@sethrj, #1271)

• Add more root finding algorithms (@VHLM2001, #1333)

• Add color and PNG for future direct raytracing/rasterization (@sethrj, #1336)

• Fix GenPrism surface shapes to match Geant4 (@mrguilima, #1337)

• Add involute surface to support HFIR simulation (@VHLM2001, #1295)

• Add optical collector to celer-sim (@stognini, #1332)

• Add inverse helpers to generic calculator (@sethrj, #1368)

• Improve sincospi availability and implementation (@sethrj, #1364)

• Add oriented bounding zone class to be used for safety distance calculations (@elliottbiondo, #1362)

• Add optical absorption and Rayleigh interactors (@hhollenb, #1317)

• Replace SWIG with JSON (via ROOT export) for data exploration (@sethrj, #1380)

• Optimize track vector data layout for particle types (@amandalund, #1322)

• Add volume-to-material mapping and change import data (@sethrj, #1378)

• Implement operation to simplify negated join on CsgTree (@esseivaju, #1289)

• Add always-on celer-sim diagnostic to count total number of tracks (@amandalund, #1383)

• Reduce default maximum substeps in field propagator (@amandalund, #1384)

• Implement physics constructor for OpticalPhysics (@drbenmorgan, #1348)

• Add skeleton optical core params and launch action (@sethrj, #1386)

• Integrate involute surface into ORANGE construction (@VHLM2001, #1342)

• Add separate configure option for on-device assertions (@sethrj, #1394)

• Extend Mott coefficients to include positrons and higher Z elements (@amandalund, #1395)

• Add action to generate optical primaries from Cerenkov distributions (@amandalund, #1399)

• Store OBZ data during runtime (@elliottbiondo, #1402)

• Add muon EM processes to Celeritas physics list and muon brems/ioni Process classes (@amandalund, #1411)

• Add action for generating scintillation photons from distributions (@amandalund, #1414)

• Add initial stepping loop to optical offload (@sethrj, #1417)

• Import muon pair production sampling table from Geant4 (@amandalund, #1419)

• Report and annotate test failures in CI (@sethrj, #1421)

• Add optical core track view and launcher (@sethrj, #1424)

• Add Bethe-Bloch model and refactor muon ionization (@amandalund, #1425)

• Fix intermittent CI failures due to corrupt XML (@sethrj, #1431)

• Add track_order option to celer-g4 and default to partitioning by charge on GPU (@amandalund, #1433)

• Add slot particle diagnostic (@sethrj, #1426)

• Separate ImportOpticalModels from ImportOpticalMaterials (@hhollenb, #1439)

• Add optical track initialization action (@amandalund, #1438)

Reviewers: @sethrj (53), @elliottbiondo (32), @amandalund (25), @whokion (12), @stognini (8), @mrguilima (7), @pcanal (5), @esseivaju (4), @drbenmorgan (3), @hhollenb (1)

Bug fixes

• Change propagation fatal error to be recoverable (@sethrj, #1090)

• Fix position check after propagating (@amandalund, #1094)

• Workaround missing G4persistency target bug in Geant4 11.2 (@drbenmorgan, #1122)

• Fix single-precision soft equivalence for plane (@sethrj, #1139)

• Fix prism orientation in Geant4 ORANGE solid converter (@sethrj, #1193)

• Fix no-JSON and Windows builds (@sethrj, #1200)

• Fix Wentzel OK&VI transport cross section (@amandalund, #1202)

• Fix gentrap orientation (@sethrj, #1206)

• Fix polar angle sampling and Mott factor in Wentzel distribution (@amandalund, #1212)

• Fix minor dependency issues (@sethrj, #1219)

• Fix trapezoid construction for negative phi and older Geant4 (@sethrj, #1227)

• Propagate parent bounding boxes to ensure objects have finite extents (@sethrj, #1225)

• Regularize quadric surfaces to deduplicate opposing surfaces (@sethrj, #1237)

• Fix windows test builds (@sethrj, #1255)

• Fix Geant4-to-ORANGE transformation conversion (@sethrj, #1257)

• Fix CSG tree simplification needed by tilecal (@sethrj, #1256)

• Fix trapezoid construction (@sethrj, #1265)

• Work around union/polysolid boundaries and fix transformation of explicit daughters (@sethrj, #1264)

• Use pre-step optical material ID in optical pre-generators (@amandalund, #1297)

• Fix muon bremsstrahlung energy limits and sampling (@amandalund, #1319)

• Fix downstream CMake when using CUDA and not included at top level (@esseivaju, #1323)

• Properly clear state counters and data for reuse (@amandalund, #1367)

• Fix initialization of geometry state when inserting multiple sets of primaries (@amandalund, #1369)

• Clear along-step action when track is marked as errored (@amandalund, #1377)

• Fix Geant4 setup when single Coulomb scattering is enabled (@amandalund, #1392)

• Improve multithread GPU performance by removing subtle device sync (@amandalund, #1405)

• Work around GCC 12.3 compiler bugs (@whokion, #1407)

• Fix construction of single-volume Geant4 with ORANGE and activate examples (@sethrj, #1409)

• Loosen numerically iffy test tolerance (@esseivaju, #1435)

• Fix weak vtables causing dynamic_cast error in apple clang 16 (@sethrj, #1436)

• Test and fix nuclear form factors (@sethrj, #1398)

Reviewers: @sethrj (14), @elliottbiondo (8), @mrguilima (5), @amandalund (2), @pcanal (2), @hhollenb (1), @whokion (1), @esseivaju (1)

Documentation improvements

• Expand position check test and fix for other unit systems (@amandalund, #1097)

• Prevent a PR with failed actions from being merged (@sethrj, #1096)

• Fix unit tests when using SI (@sethrj, #1100)

• Fix CTest names (@sethrj, #1105)

• Disable ROCm builds because of constant failures (@sethrj, #1118)

• Update CI images and workflow actions (@sethrj, #1136)

• Fix warning about missing low-energy cross sections (@amandalund, #1176)

• Set global execution timeout for automated testing on Jenkins (@dalg24, #1186)

• Pin sphinx version to fix documentation build (@sethrj, #1188)

• Define geometry traits (@sethrj, #1190)

• Switch ORANGE unit tests to use GDML files (@sethrj, #1181)

• Add test for assertion messages (@sethrj, #1198)

• Improve gentrap documentation and fix typos (@mrguilima, #1205)

• Improve ccache use on github workflows (@sethrj, #1243)

• Add automatic external fetching for JSON and Googletest (@sethrj, #1253)

• Refactor CMake test name generation to be based on path (@sethrj, #1261)

• Add initial set of clang-tidy checks (@esseivaju, #1267)

• Fix tests for Geant4 11.2 (@sethrj, #1276)

• Tweak documentation in CoreState (@sethrj, #1279)

• Update perlmutter build (@esseivaju, #1285)

• Fix ORANGE docs and ccache-clearing cron job (@sethrj, #1284)

• Regenerate ROOT files during CI testing (@sethrj, #1287)

• Improve documentation for physics, RNG, stepping loop (@sethrj, #1298)

• Fix device test failures (@amandalund, #1307)

• Refactor muon bremsstrahlung differential cross section calculation and add documentation (@amandalund, #1320)

• Add git pre-commit hook (@esseivaju, #1329)

• Add CUDA build instructions (@esseivaju, #1335)

• Add unit test function wrapper for diagnosing solver convergence (@sethrj, #1331)

• Fix HepMC3 tests to work with 3.3.0 (@sethrj, #1340)

• Use spack-based workflow for address sanitizer (@sethrj, #1341)

• Automatically build and deploy github documentation (@sethrj, #1350)

• Add optical physics documentation (@sethrj, #1358)

• Automatically add Zotero publications to project site (@sethrj, #1359)

• Add Mermaid CSG tree output (@sethrj, #1361)

• Add documentation for config options, improve unit docs, and use doxygen todos (@sethrj, #1360)

• Refactor user manual (@sethrj, #1363)

• Add separate developer doc section to user manual (@sethrj, #1365)

• Address minor documentation, contract fixes in CelerOpticalPhysics (@drbenmorgan, #1388)

• Add clang 18 and gcc 14 builds to CI (@sethrj, #1389)

• Fix documentation deployment (@sethrj, #1408)

• Hotfix: untested CUDA code in #1424 (@sethrj, #1429)

Reviewers: @amandalund (19), @sethrj (10), @pcanal (5), @esseivaju (5), @stognini (4), @elliottbiondo (1), @drbenmorgan (1)

Minor internal changes

• Remove unused data from ImportElement/Material (@sethrj, #1089)

• Refactor Geant4 utilities in preparation for g4vg (@sethrj, #1095)

• Reorganize geometry wrappers into a new “geocel” directory (@sethrj, #1099)

• Rename ORANGE construction files (@sethrj, #1106)

• Split CMake RDC utilities from Celeritas macros (@pcanal, #1104)

• Fix ORANGE namespaces (@sethrj, #1117)

• Fix missing explicit instantiations in ORANGE CSB (@sethrj, #1124)

• Add compile-time consistency check for Celeritas and Geant4 versions (@sethrj, #1123)

• Transform refactoring (@sethrj, #1127)

• Use correct form of enable_if for functions (@sethrj, #1135)

• Refactor MSC params and add Wentzel VI params and data (@amandalund, #1129)

• Rename Wentzel model to CoulombScattering and add em/params subdirectory (@amandalund, #1154)

• Add generic grid builder and refactor builder code that uses generic grids (@sethrj, #1157)

• Split ExplicitActionInterface to support optical data (@pcanal, #1160)

• Fix SWIG build (@sethrj, #1159)

• Rename scale methods in g4vg (@sethrj, #1175)

• Tweak ORANGE construction (@sethrj, #1178)

• Add small utilities for rasterization work (@sethrj, #1185)

• Update CMake user preset (@esseivaju, #1195)

• Move unit enumeration to corecel and improve assertion flexibility (@sethrj, #1197)

• Make “output interface” streamable (@sethrj, #1203)

• Refactor ActionSequence to be templated on Params (@esseivaju, #1209)

• Use string view for interface labels and descriptions (@sethrj, #1210)

• Fix library macro compatibility wrappers (@sethrj, #1215)

• Split optical pre-generator action into separate Cerenkov and scintillation actions (@amandalund, #1217)

• Write celer-sim results as ‘null’ when they’re disabled (@sethrj, #1223)

• Refactor trapezoid construction (@sethrj, #1221)

• Add generic grid inserter to simplify construction (@hhollenb, #1229)

• Split ORANGE test into subtests (@sethrj, #1234)

• Update single and multiple Coulomb scattering configurations in GeantPhysicsList (@amandalund, #1239)

• Rename ConvexRegion to IntersectRegion (@sethrj, #1245)

• Minor refactoring/niceties for upcoming polycone work (@sethrj, #1246)

• Add gdml-to-dot and improve celer-geo (@sethrj, #1252)

• Set correct energy limits for Coulomb scattering (@amandalund, #1266)

• Refactor nuclear zone builder to separate numerical integration (@sethrj, #1275)

• Improve GenTrap regularization and construction (@sethrj, #1262)

• Refactor optical data to use extensible params/states (@sethrj, #1280)

• Require JSON (@sethrj, #1254)

• Store model action IDs in model class instead of in data (@amandalund, #1293)

• Add helper functions for sampling/calculating direction in interactors (@amandalund, #1301)

• Add final state helper for ionization interactions (@amandalund, #1306)

• Add a helper function to copy a “collection group” back to the host (@sethrj, #1310)

• Skip indirection array for sorted track slots (@sethrj, #1315)

• Remove celeritas include in corecel (@esseivaju, #1328)

• Refactor types to reduce duplication and cyclic dependencies (@sethrj, #1327)

• Update frontier toolchain and backward compatibility (@sethrj, #1330)

• Consolidate header naming convention (@esseivaju, #1325)

• Reduce string duplication from assertion messages (@sethrj, #1338)

• Add optical sub-namespace (@hhollenb, #1314)

• Fix minor compile error/warning with nvcc+clang (@esseivaju, #1343)

• Fix clang-tidy checks, including some use-after-move (@esseivaju, #1352)

• Refactor rejection sampling using a helper class (@sethrj, #1354)

• Improve use of distributions and simplify interactions (@sethrj, #1357)

• Accept single CsgTree from stdin (@esseivaju, #1366)

• Clang format develop with clang 18 (@sethrj, #1372)

• Allow normal distribution to preserve spare value (@sethrj, #1371)

• Define optical MaterialView and rename MaterialParams (@sethrj, #1370)

• Sample cerenkov photons one at a time using rejection (@sethrj, #1373)

• Sample scintillation photons individually (@sethrj, #1376)

• Count number of optical primaries to be generated from distributions (@amandalund, #1379)

• Fix warnings on updated Cray/ROCm toolchain (@sethrj, #1381)

• Allow sim params without looping (@sethrj, #1382)

• Rename ExplicitAction to StepAction and add templating (@sethrj, #1387)

• Refactor primaries as aux data (@sethrj, #1393)

• Change LocalTransporter deallocation semantics (@sethrj, #1403)

• Refactor action sequence into action group plus extras (@sethrj, #1410)

• Define “static” concrete action for those with unique name/description (@sethrj, #1416)

• Improve PRINT_EXPECTED formatting for long strings and vectors (@sethrj, #1420)

• Support aliased nodes during CsgTree simplification (@esseivaju, #1418)

• Refactor action launcher components into kernel launcher (@sethrj, #1423)

• Add total_energy accessor to ParticleTrackView (@amandalund, #1432)

• Clang format develop with clang 18 (@sethrj, #1437)

• Rename track slot enumerations (@sethrj, #1434)

• Add a hack to override ORANGE max intersections/faces (@sethrj, #1430)

• Add global MPI communicator and refactor some internals (@sethrj, #1428)

Reviewers: @amandalund (30), @sethrj (21), @elliottbiondo (7), @stognini (5), @esseivaju (5), @whokion (4), @mrguilima (4), @drbenmorgan (3), @pcanal (2), @tmdelellis (1)

Full Changelog: https://github.com/celeritas-project/celeritas/compare/v0.4.4…v0.5.0