v0.1.0

[sethrj]

”Initial viable product" release of Celeritas. This release is focused on unit testing and stabilizing the API for exploratory use by downstream applications and frameworks. Some initial code verification problems (looking at energy and step distributions for simple problems such as TestEM3) are promising, but the code is far from validated.

New features

• Standard EM physics including multiple scattering and energy loss fluctuations
• VecGeom for GDML navigation, ORANGE for testing
• Optional support for offloading to GPU with CUDA and HIP, or running with OpenMP for multithreading
• Magnetic field support with runtime-swappable field types

Known bugs

• Magnetic field propagation fails at geometry boundaries in some test problems.
• Multiple scattering requires more steps than expected compared to Geant4.

Contributors

Thanks to the contributors at Argonne National Lab, Lawrence Berkeley Lab, Fermilab, Oak Ridge National Laboratory, and other collaborating institutions.

• Philippe Canal (@pcanal): Fix ROOT autoloading and add RootImporter to the dict. #115, Add post-kernel-launch assertions #119, Follow "pass-by-pointer" for mutable reference. #130, Slight improvements on simple-driver.py #171, Fix Logger performance test during heavy loads #172, Implement select_process_and_model #166, Use VecGeom's new NavStatePoolView to access the NavStatePool content on device #222, Fix CUDA relocatable device code linking #239, Add support for static build #242, Restore support for celeritas_add_library _midsuf being non empty  #243, Add missing dependency from 'final library' to the cuda static libraries #254, Suppress stack size warnings from vecgeom #338
• Doaa Deeb (@DoaaDeeb): Add MuBremsstrahlungInteractor #257
• Tom Evans (@tmdelellis): Klein-Nishina CPU performance application #57, Fix designation of ElementSelector test as a host test #65, Add EPlusGG interactor kernel #112
• Seth R Johnson (@sethrj): Add infrastructure and some documentation #4, GPU infrastructure #8, Infrastructure changes #13, Tweak RNG engine interface #16, Update readme and move documentation to a wiki page #15, Infrastructure additions #21, Minor infrastructure fixes #24, Add baseline CI #25, Dockerfile/Jenkins test MR #32, Implement core physics classes and example Interaction #17, Infrastructure: RNG tweaks and add Stopwatch #35, Basic geometry tracking on device #39, Klein-Nishina demo app #36, Add geometry raytrace test app #40, Fix missing JSON target and update formatting from old code #45, General stack allocator #44, Define consistent unit system and add Quantity class #50, Add step length sampling to Klein-Nishina demo #51, Update and unify formatting for a bunch of files #61, Add material and element properties and identifiers #59, Add skeleton EM physics classes #62, Add element selection sampler #63, De-LFS files #64, Add unified testing header #69, Add "not reachable" macros #78, Add quick and dirty raytrace visualization script #80, Extend non-numeric quantity, enable tests and tweak annihilation process #79, Add logger #76, Add element scratch space and add to interactor test #73, Add Dockerfile and enable Jenkins CI #82, Add Coulomb correction to element view and increase accuracy #83, Infrastructure: improved GPU and MPI granularity #84, Implement Span and normalize Span/Array/Byte spelling #85, Add Doxygen code documentation support #86, Improve InitializedValue and Quantity #87, Add diagnostic RNG engine to test sampling efficiency #88, Print some physics vector properties in geant-exporter-cat #91, Refactor physics table/vector writing #92, Tweaks prerequisite to model/process implementation #93, Add always-on INSIST macro #95, Housekeeping #99, Add physics model and processes #98, Unify kernel namespaces and error checking #106, Improve ROOT compatibility and ability to build without TPLs #104, Scope and rename assertion/error checking macros #108, Clean up and move XS calculator to physics #114, Update copyright year in stub file generator #116, Add SWIG interface #105, Add "not implemented" assertion macro #117, Workaround nvlink bug #118, Simplify header structure and some ID names #122, Physics stepping skeleton #120, Build system improvements #124, Add value grid construction and storage #128, Add expectations for pass-by-pointer mutable references #129, Apply clang-format #133, Normalize type aliases in DeviceAllocation/DeviceVector and add data() #135, Add helper class to reduce code duplication and improve type safety #131, Use Pie backend for material params #136, Pie improvements: integrate OpaqueId and use C++ instead of macros #137, Rename gamma annihilation to conversion #138, Refactor particle params/state to use Pie #139, Refactor ValueGrid to use Pie #142, Add PieStateStore and GridIdFinder helper classes #143, Add model labels and move "not implemented" interactors to detail directory #144, Implement physics params and trackview #141, Add CMake-derived version metadata to build system and output #147, Print HEP package versions during configure, and update CI VecGeom #148, Dependency simplify #151, Add object-oriented device and kernel diagnostics #149, Refactor PieSlice as a newly enhanced Range #153, Updates to fix VecGeom crashes and suppress debug output #150, Some performance tweaks from CHEP paper #156, Rename Pie to Collection #157, Use 32-bit size for stack allocator #162, Add stopping power calculation #160, Fix minor issues revealed with -Weverything #170, Improve rasterizer driver #168, Docker: add ubuntu 18 script and no-debug testing #174, Use Collection for stack allocator backend #169, Add 2D grid with bilinear interpolation #177, Fix documentation #178, Improve helper functions and organization #179, Load cross sections into Processes #184, Fix non-constexpr numeric limits on CUDA device #189, Reduce cmake duplication for linking against vecgeom #190, Extend Collection documentation and add doxygen main page #193, Simplify Moller-Bhabha test harness #195, Add skeleton for stepping loop demo #191, Refactor RNG to use collections for state management #199, Add Seltzer-Berger energy distribution #204, Configure CUDA CI vecgeom with ROOT support #196, Simplify RNG counter reset for physics unit tests #205, Refactor vecgeom implementation to use collections #201, Fix SB positron derivation and improve autoformatting of CELER_VALIDATE #207, Interactor tweaks #208, Clarify Livermore sampling algorithm #211, Remove disabled physics interactors #218, Add random selector helper class #217, Use a non-OpaqueId class for PDGNumber #219, Add reciprocal distribution #220, Update dependencies and copyright info #224, Document and improve failure mode for collections in cu code #225, Remove device-only exclusions #226, Clang and documentation fixes #228, Use MemSpace for model interactor #235, Propagate GTEST_COLOR environment to ColorUtils setting #237, Complete positron annihilation and gamma conversion processes #236, Use static libs for CI ndebug build #238, Add positron correction for SB sampling #247, Explicitly declare Thread to avoid Geant4 conflict #276, Minor cleanup for demo loop  #292, Unify naming for collection usage #293, Add box disribution and combine inlined files #294, Hotfix: conflict between #293 and #289 #296, Fix documentation build #298, Initial portable implementation of ORANGE: oak ridge geometry engine #291, Add static surface actions for ORANGE #306, Improve CI stability with larger TMPDIR and reduced parallelism #301, Orange: add volume definition and JSON I/O for surface/volume #307, Improve gtest macros and internals #311, Fix collection warning #313, Remove unused functions from VectorUtils #314, Refactor demo loop as a reusable class #315, ORANGE: implement volumes and on-device track initialization #312, Define CUDA assertion that still fails when NDEBUG #321, Improve Quantity with value_as, native_value_from, native_value_to #322, Add algorithms for geometry tracking #325, Update CI to use vecgeom 1.1.18 and CUDA 11.4 #329, Fix tolerance and missing move #331, Fix configure/build errors when +vecgeom~cuda #332, ORANGE: implement distance-to-boundary calculation #335, Refactor geometry stepping and field propagation #333, Add ORANGE params #336, Rename VecGeom classes and enable building code with ORANGE #337, Update copyrights and fix documentation #340, Enable ORANGE for unit tests #339, Enable ORANGE demo loop #343, Add abstraction for environment variables to support JSON I/O #344, Overhaul CMake options and replace scripts with CMakePresets #342, Enable ORANGE field test #345, Fix rasterizer #347, Un-lfs last file and remove attributes #348, Enhance demo loop application #349, Add status messages and improve diagnostics to demo loop #351, Move .i.hh contents into .hh #359, Change Def to Record #360, Fix forceinline usage, docker script, and demo-loop test disable #364, Split movement-to-boundary from boundary-crossing #365, Refactor energy loss fluctuations #366, Rename safety to find_safety and add not-implemented ORANGE interface #378, Add generic CUDA/HIP support #374, Clang-format and include-what-you-use #373, Optimize geometry tracking #379, Add ctest labels, minor tweaks #381, Add features and fixes for testem3 comparison #384, Add diagnostics and launch bounds #380, Refactor Geant4/ROOT/Celeritas import #387, Support for Summit #386, Update summit environment and fix missing geant4@11 typedef #388, ORANGE: use surface connectivity to find new volumes #389, Define "core track view" and related helper classes #391, Fix doxygen documentation #394, Add interactor view and pass CoreData to physics models #393, Tweak MSC implementation #395, Work around Geant4 include propagation #397, More MSC refactoring #398, Fix error in FieldDriver #399, Add polynomial evaluator #400, Add signal handler to transport loop #405, Add action manager and refactor core celeritas #403, Add a simple in-house XORWOW implementation #404, Add optional, hard-coded fixed step limiter #410, Update "interact" as "execute" #408, Add demonstration-use ORANGE safety distance #406, Add output manager #411, Add CLHEP/Celeritas constant conversion tests #402, Add geant setup options to configure bins per decade #414, Support multiple signals for a single handler #415, Pre-rename IWYU and minor class changes #417, Reorganize repository #416, Refactor Transporter into Stepper #422, Refactor testing frameworks and test namespace #424, Initialize states with garbage on host in debug mode #426, Add TestEm3 Stepper and default RNG to XORWOW #427, Minor changes to magnetic field in preparation for AlongStep integration #428, Noexcept/cxx17 fixes #433, Support external installation #432, Install rootmap/pcm files #435, Support VecGeom test harness with non-VGDML geometry #436, Simplify and fix safety/MSC #434, Add sphinx/breathe documentation #437, Add testem15 for orange and fix safety flag #441, Allow duplicate names (with uniquifying extensions) for volumes and materials #439, Fix step diagnostic, element resampling for Livermore PE #445, Fix HIP/Crusher build #443, Make energy fluctuation setup independent of physics params #448, Use type aliases, fix generator script, and return shared_ptr from accessors #449, Revert accidental change to Assert.hh #453, Improve support for building as a "vendored" dependency #456, Refactor stepper test and add "action result" for MSC interaction #455, Add granular along-step tests #458, Refactor along-step for extensibility #457, Fix generation error when building static+vecgeom #464, Add uniform field + MSC along-step kernel #465
• Soon Yung Jun (@whokion): Add host/device compatible RNG #41, Implement EPlusGGInteractor #70, Runge-Kutta Stepper #173, Rayleigh Scattering Model #200, Magnetic Field Driver #214, Implement magnetic field propagator #221, Add Rayleigh process #230, Support user-defined magnetic fields #250, MagField Traits #259, Computing performance tests of curand generators #258, Updates for Field Propagation #260, Relativistic Bremsstrahlung Model/Interactor #316, Refactor transporter construction and fix comments #317, Add Combined Bremsstrahlung Model #320, Integrate multiple bremsstrahlung models #324, Add safety in VecgeomTrackView #370, Add an initial version of the Urban multiple scattering model #375, Integrate multiple scattering into the demo-loop #390, Add a Dormand-Prince stepper #396, Add a Helix stepper #407, Extend user defined magnetic field tests #413, Msc Update: A couple of bug fixes in MSC samplings #430, Fix an issue of too many small steps when msc is enabled #454, Cache the energy loss range and fix range-to-step edge case #467
• Guilherme Lima (@mrguilima): Extract geometry construction to be reused for multiple tests #42, Implement linear propagation #38, Fix build error on GCC 8.3 #109, Add fourLevels geometry model, and modify basic geom tests accordingly. #90, Line propagation updates #167, Fix to enum value #229, Geant4 is required to build the full physics demo app #234, Use logical instead of placed volumes for VolumeId #232, Use BVH navigator by default #328, Always use the BVH navigator for VecGeom-based tracking #383, Add geo-check app #446, Avoid double transfer from device (see PR #446) #452
• Amanda Lund (@amandalund): Add an on-device RNG engine class and a couple of distributions #6, Isotropic distribution #20, Event reader #47, Initialize tracks on device #52, Add Livermore photoelectric interactor #89, Store local energy deposition #100, Add photoelectric process and Livermore photoelectric model/interact kernel #113, Add atomic relaxation #134, Complete the implementation of calc_tabulated_physics_step #154, Atomic relaxation updates #159, Fix allocation of zero elements with StackAllocatorView #161, Load Seltzer-Berger bremsstrahlung differential cross sections and store on device #186, Use Collection for Livermore photoelectric backend #185, Move GeoMaterialParams/View to main source code and fill in missing pieces #198, Enable Rayleigh test and fix outgoing energy #216, Use CutoffView in atomic relaxation #215, Correct the sampling of discrete interactions for energy loss #209, Demo loop updates #227, Refactor track initialization code #240, Fix Moller-Bhabha energy cutoff #245, Fix energy loss and range tables #255, Add track initialization to demo loop #251, Add a few distributions #264, A few more demo loop fixes #274, Add energy loss fluctuations #269, Use Collection for atomic relaxation backend #285, Add diagnostic for particles and processes #290, Correction to #245 #297, Fix secondary cutoffs #304, Diagnostic for distribution of number of steps per track #309, Fix energy deposition in atomic relaxation + a couple other little things #319, Reduce code duplication #323, Fix indexing in step diagnostic #330, Add timers to demo loop #346, Store number of track initializers in demo loop #350, Kill stopped electrons at the end of the step #353, Fix parent ID assignment #362, Use size_t in DeviceAllocation #368, Reduce track initialization memory and remove reduction #369, Fix TrackInit test #372, Initialize interactions on device #376, Store the number of steps per track #382, Add relativistic pair production #385, Seltzer-Berger positron correction fix #401, Support multiple elements per material #440, Use the integral approach for all processes with particles that can lose energy over the step #444, Add simulation time #450, Optionally generate primaries without a HepMC3 input file in the demo loop #463
• Ben Morgan (@drbenmorgan): Increase max policy range for CMake to 3.18 #53, Qualify Range types and functions for host and device #56, Provide an imported target for HepMC3 #110, Allow for non-deterministic IDs in TrackInitializerStore test #121, Move .i.hh contents into .hh for remainder of base, comm, random, and sim #367, Move .i.hh contents into .hh for remainder of files under src, test, and app #371
• Vincent R Pascuzzi (@vrpascuzzi): Add templated cube() to Algorithms.h #68, Add BetheHeitlerInteractor #72, Add BetheHeitlerModel and GammaAnnihilationProcess #111, Add Seltzer-Berger interactor and kernel #241, Update VecGeom build option in README.md #248, Add BremsstrahlungProcess #246, Add Diagnostic interface with example (#262) #287
• Paul Romano (@paulromano): Fix for energy sampling in BetheHeithlerInteractor #107, Two fixes in README.md #197, Fix a few missing includes and typos #265, Enable demo-loop app test in CI #268, Make sure init_tracks kernel initializes material state #270, Fix bug in element use in BetheHeitlerInteractor #275, Implement CPU demo loop #273, Energy diagnostic for demo loop #289, Fix secondary energy in BetheHeitlerInteractor #299, Allow multiple VecGeom navigation states on host #303, Allow exactly zero energy loss in Urban model for energy loss fluctuation #305, Allow arbitrary number of tracks on CPU #308, Add OpenMP threading for CPU demo loop #310, Add CELERITAS_USE_OpenMP build option #318
• Stefano C Tognini (@stognini): G4importer particle #30, Export / import Geant4 XS tables, volume, material, and element information #55, Load MaterialParams via RootImporter #81, Add Moller and Bhabha scattering processes #132, Import Geant4 production cuts #175, Add electron/positron ionisation process #188, Add secondary cutoff energy threshold to the Moller-Bhabha interactor #194, Update MaterialParams to store different materials with same name #203, Simplify data export/import process #210, Add single-material cms mock-up geometry to the demo-loop  #231, Add source definition to demo-loop #244, Add Geant4 v11 compatibility to geant-exporter #271, Update geant-exporter physics list #302, Remove unused variables #327, Import element microscopic cross sections #326, Update geant-exporter to include multiple scattering tables #341, Add capability to import Geant4 EM parameters #423

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This discussion was created from the release v0.1.0.