.gitignore
CHANGELOG
CMakeLists.txt
FILES
INSTALL
LICENSE
NOTICE
README
VERSION
pyproject.toml
setup.py
.github/dependabot.yml
.github/ISSUE_TEMPLATE/bug_report.md
.github/ISSUE_TEMPLATE/config.yml
.github/ISSUE_TEMPLATE/feature_request.md
.github/ISSUE_TEMPLATE/request-for-new-material.md
.github/resources/bldlocal.x
.github/resources/conda_ncrystaltestenv.yml
.github/workflows/basictest.yml
.github/workflows/basictest_intel.yml
.github/workflows/condatest.yml
.github/workflows/pypi.yml
NCrystal/__init__.py
NCrystal/_chooks.py
NCrystal/_common.py
NCrystal/_coreimpl.py
NCrystal/_hklobjects.py
NCrystal/_miscimpl.py
NCrystal/_mmc.py
NCrystal/_msg.py
NCrystal/_ncmatimpl.py
NCrystal/_numpy.py
NCrystal/_testimpl.py
NCrystal/api.py
NCrystal/atomdata.py
NCrystal/cfgstr.py
NCrystal/cifutils.py
NCrystal/constants.py
NCrystal/core.py
NCrystal/datasrc.py
NCrystal/exceptions.py
NCrystal/mcstasutils.py
NCrystal/misc.py
NCrystal/ncmat.py
NCrystal/obsolete.py
NCrystal/plot.py
NCrystal/plugins.py
NCrystal/test.py
NCrystal/vdos.py
cmake/NCrystalConfig.cmake.in
cmake/ncrystal-config.in
cmake/template_setup.py.in
cmake/template_setup.sh.in
cmake/template_unsetup.sh.in
cmake/modules/ncrystal_legacyoptions.cmake
cmake/modules/ncrystal_options.cmake
cmake/modules/ncrystal_utils.cmake
data/AcrylicGlass_C5O2H8.ncmat
data/AgBr_sg225_SilverBromide.ncmat
data/Ag_sg225.ncmat
data/Al2O3_sg167_Corundum.ncmat
data/Al4C3_sg166_AluminiumCarbide.ncmat
data/AlN_sg186_AluminumNitride.ncmat
data/Al_sg225.ncmat
data/Ar_Gas_STP.ncmat
data/Au_sg225.ncmat
data/BaF2_sg225_BariumFluoride.ncmat
data/BaO_sg225_BariumOxide.ncmat
data/Ba_sg229.ncmat
data/Be3N2_sg206_BerylliumNitride.ncmat
data/BeF2_sg152_Beryllium_Fluoride.ncmat
data/BeO_sg186.ncmat
data/Be_sg194.ncmat
data/Bi_sg166.ncmat
data/C_sg194_pyrolytic_graphite.ncmat
data/C_sg227_Diamond.ncmat
data/CaCO3_sg62_Aragonite.ncmat
data/CaF2_sg225_CalciumFlouride.ncmat
data/CaH2_sg62_CalciumHydride.ncmat
data/CaO2H2_sg164_CalciumHydroxide.ncmat
data/CaO_sg225_CalciumOxide.ncmat
data/CaSiO3_sg2_Wollastonite.ncmat
data/Ca_sg225.ncmat
data/Ca_sg229_Calcium-gamma.ncmat
data/CeO2_sg225_CeriumOxide.ncmat
data/Cr_sg229.ncmat
data/Cu2O_sg224_Cuprite.ncmat
data/Cu_sg225.ncmat
data/Dy2O3_sg206_DysprosiumOxide.ncmat
data/Epoxy_Araldite506_C18H20O3.ncmat
data/Fe_sg225_Iron-gamma.ncmat
data/Fe_sg229_Iron-alpha.ncmat
data/GaN_sg186_GalliumNitride.ncmat
data/GaSe_sg194_GalliumSelenide.ncmat
data/Ge3Bi4O12_sg220_BismuthGermanate.ncmat
data/Ge_sg227.ncmat
data/He_Gas_STP.ncmat
data/HfO2_sg14_HafniumOxide.ncmat
data/Ho2O3_sg206_HolmiumOxide.ncmat
data/KBr_sg225_PotassiumBromide.ncmat
data/KF_sg225_PotassiumFlouride.ncmat
data/KOH_sg4_PotassiumHydroxide.ncmat
data/K_sg229.ncmat
data/Kapton_C22H10N2O5.ncmat
data/Kr_Gas_STP.ncmat
data/LaBr3_sg176_LanthanumBromide.ncmat
data/Li2O_sg225_LithiumOxide.ncmat
data/Li3N_sg191_LithiumNitride.ncmat
data/LiF_sg225_LithiumFlouride.ncmat
data/LiH_sg225_LithiumHydride.ncmat
data/LiquidHeavyWaterD2O_T293.6K.ncmat
data/LiquidWaterH2O_T293.6K.ncmat
data/Lu2O3_sg206_LutetiumOxide.ncmat
data/Lu2SiO5_sg15.ncmat
data/Mg2SiO4_sg62_MagnesiumSilicate.ncmat
data/MgAl2O4_sg227_MAS.ncmat
data/MgCO3_sg167_MagnesiumCarbonate.ncmat
data/MgD2_sg136_MagnesiumDeuteride.ncmat
data/MgF2_sg136_MagnesiumFlouride.ncmat
data/MgH2_sg136_MagnesiumHydride.ncmat
data/MgO2H2_sg164_MagnesiumHydroxide.ncmat
data/MgO_sg225_Periclase.ncmat
data/Mg_sg194.ncmat
data/Mo_sg229.ncmat
data/Na4Si3Al3O12Cl_sg218_Sodalite.ncmat
data/NaBr_sg225_SodiumBromide.ncmat
data/NaCl_sg225_SodiumChloride.ncmat
data/NaF_sg225_SodiumFlouride.ncmat
data/NaI_sg225_SodiumIodide.ncmat
data/Na_sg229.ncmat
data/Nb_sg229.ncmat
data/Ne_Gas_STP.ncmat
data/Ni_sg225.ncmat
data/Nylon11_C11H21NO.ncmat
data/Nylon12_C12H23NO.ncmat
data/Nylon610_C16H30N2O2.ncmat
data/Nylon66or6_C12H22N2O2.ncmat
data/PEEK_C19H12O3.ncmat
data/PVC_C2H3Cl.ncmat
data/PbF2-beta_sg225_BetaLeadFlouride.ncmat
data/PbO-alpha_sg129_Litharge.ncmat
data/PbO-beta_sg57_Massicot.ncmat
data/PbS_sg225_LeadSulfide.ncmat
data/Pb_sg225.ncmat
data/Pd_sg225.ncmat
data/Polycarbonate_C16O3H14.ncmat
data/Polyester_C10H8O4.ncmat
data/Polyethylene_CH2.ncmat
data/Polylactide_C3H4O2.ncmat
data/Polypropylene_C3H6.ncmat
data/Polystyrene_C8H8.ncmat
data/Pt_sg225.ncmat
data/Rb_sg229.ncmat
data/Rubber_C5H8.ncmat
data/Sc_sg194.ncmat
data/SiC-beta_sg216_BetaSiliconCarbide.ncmat
data/SiO2-alpha_sg154_AlphaQuartz.ncmat
data/SiO2-beta_sg180_BetaQuartz.ncmat
data/Si_sg227.ncmat
data/Sn_sg141.ncmat
data/SrF2_sg225_StrontiumFluoride.ncmat
data/SrH2_sg62_StrontiumHydride.ncmat
data/Sr_sg225.ncmat
data/Th3N4_sg166_ThoriumNitride.ncmat
data/ThO2_sg225_ThoriumDioxide.ncmat
data/Th_sg225.ncmat
data/TiO2_sg136_Rutile.ncmat
data/TiO2_sg141_Anatase.ncmat
data/Ti_sg194.ncmat
data/TlBr_sg221_ThaliumBromide.ncmat
data/Tm2O3_sg206_ThuliumOxide.ncmat
data/UF6_sg62_UraniumHexaflouride.ncmat
data/UO2_sg225_UraniumDioxide.ncmat
data/V_sg229.ncmat
data/W_sg229.ncmat
data/Xe_Gas_STP.ncmat
data/Y2O3_sg206_Yttrium_Oxide.ncmat
data/Y2SiO5_sg15_YSO.ncmat
data/Y3Al5O12_sg230_YAG.ncmat
data/Y_sg194.ncmat
data/ZnF2_sg136_ZincFlouride.ncmat
data/ZnO_sg186_ZincOxide.ncmat
data/ZnS_sg216_Sphalerite.ncmat
data/Zn_sg194.ncmat
data/ZrF4-beta_sg84.ncmat
data/ZrO2_sg137_Zirconia.ncmat
data/ZrO2_sg14_Zirconia.ncmat
data/Zr_sg194.ncmat
data/void.ncmat
docs/ncmat_doc.md
examples/ncrystal_example_c.c
examples/ncrystal_example_cpp.cc
examples/ncrystal_example_customphysics.cc
examples/ncrystal_example_g4sim.cc
examples/ncrystal_example_py
ncrystal.egg-info/PKG-INFO
ncrystal.egg-info/SOURCES.txt
ncrystal.egg-info/dependency_links.txt
ncrystal.egg-info/requires.txt
ncrystal.egg-info/top_level.txt
ncrystal_core/include/NCrystal/NCAtomData.hh
ncrystal_core/include/NCrystal/NCCompositionUtils.hh
ncrystal_core/include/NCrystal/NCDataSources.hh
ncrystal_core/include/NCrystal/NCDefs.hh
ncrystal_core/include/NCrystal/NCDump.hh
ncrystal_core/include/NCrystal/NCException.hh
ncrystal_core/include/NCrystal/NCFact.hh
ncrystal_core/include/NCrystal/NCFactImpl.hh
ncrystal_core/include/NCrystal/NCFactRequests.hh
ncrystal_core/include/NCrystal/NCFactThreads.hh
ncrystal_core/include/NCrystal/NCFactTypes.hh
ncrystal_core/include/NCrystal/NCFmt.hh
ncrystal_core/include/NCrystal/NCImmutBuf.hh
ncrystal_core/include/NCrystal/NCInfo.hh
ncrystal_core/include/NCrystal/NCInfoBuilder.hh
ncrystal_core/include/NCrystal/NCInfoTypes.hh
ncrystal_core/include/NCrystal/NCLoadNCMAT.hh
ncrystal_core/include/NCrystal/NCMatCfg.hh
ncrystal_core/include/NCrystal/NCMem.hh
ncrystal_core/include/NCrystal/NCMsgCtrl.hh
ncrystal_core/include/NCrystal/NCNCMATData.hh
ncrystal_core/include/NCrystal/NCParseNCMAT.hh
ncrystal_core/include/NCrystal/NCPluginBoilerplate.hh
ncrystal_core/include/NCrystal/NCPluginMgmt.hh
ncrystal_core/include/NCrystal/NCProc.hh
ncrystal_core/include/NCrystal/NCProcImpl.hh
ncrystal_core/include/NCrystal/NCRNG.hh
ncrystal_core/include/NCrystal/NCSABData.hh
ncrystal_core/include/NCrystal/NCSCOrientation.hh
ncrystal_core/include/NCrystal/NCSmallVector.hh
ncrystal_core/include/NCrystal/NCTextData.hh
ncrystal_core/include/NCrystal/NCTypes.hh
ncrystal_core/include/NCrystal/NCVariant.hh
ncrystal_core/include/NCrystal/NCVersion.hh
ncrystal_core/include/NCrystal/NCrystal.hh
ncrystal_core/include/NCrystal/ncapi.h
ncrystal_core/include/NCrystal/ncrystal.h
ncrystal_core/include/NCrystal/internal/NCABIUtils.hh
ncrystal_core/include/NCrystal/internal/NCAbsOOV.hh
ncrystal_core/include/NCrystal/internal/NCAtomDB.hh
ncrystal_core/include/NCrystal/internal/NCAtomDBExtender.hh
ncrystal_core/include/NCrystal/internal/NCAtomUtils.hh
ncrystal_core/include/NCrystal/internal/NCBkgdExtCurve.hh
ncrystal_core/include/NCrystal/internal/NCCfgManip.hh
ncrystal_core/include/NCrystal/internal/NCCfgTypes.hh
ncrystal_core/include/NCrystal/internal/NCCfgVars.hh
ncrystal_core/include/NCrystal/internal/NCDebyeMSD.hh
ncrystal_core/include/NCrystal/internal/NCDynInfoUtils.hh
ncrystal_core/include/NCrystal/internal/NCDynLoader.hh
ncrystal_core/include/NCrystal/internal/NCElIncScatter.hh
ncrystal_core/include/NCrystal/internal/NCElIncXS.hh
ncrystal_core/include/NCrystal/internal/NCEqRefl.hh
ncrystal_core/include/NCrystal/internal/NCFactoryJobs.hh
ncrystal_core/include/NCrystal/internal/NCFactoryUtils.hh
ncrystal_core/include/NCrystal/internal/NCFastConvolve.hh
ncrystal_core/include/NCrystal/internal/NCFileUtils.hh
ncrystal_core/include/NCrystal/internal/NCFillHKL.hh
ncrystal_core/include/NCrystal/internal/NCFreeGas.hh
ncrystal_core/include/NCrystal/internal/NCFreeGasUtils.hh
ncrystal_core/include/NCrystal/internal/NCGasMixUtils.hh
ncrystal_core/include/NCrystal/internal/NCGaussMos.hh
ncrystal_core/include/NCrystal/internal/NCGaussOnSphere.hh
ncrystal_core/include/NCrystal/internal/NCHists.hh
ncrystal_core/include/NCrystal/internal/NCIofQHelper.hh
ncrystal_core/include/NCrystal/internal/NCIter.hh
ncrystal_core/include/NCrystal/internal/NCKinUtils.hh
ncrystal_core/include/NCrystal/internal/NCLCBragg.hh
ncrystal_core/include/NCrystal/internal/NCLCRefModels.hh
ncrystal_core/include/NCrystal/internal/NCLCUtils.hh
ncrystal_core/include/NCrystal/internal/NCLatticeUtils.hh
ncrystal_core/include/NCrystal/internal/NCMMC_Basket.hh
ncrystal_core/include/NCrystal/internal/NCMMC_BasketMgr.hh
ncrystal_core/include/NCrystal/internal/NCMMC_BasketSrcFiller.hh
ncrystal_core/include/NCrystal/internal/NCMMC_Defs.hh
ncrystal_core/include/NCrystal/internal/NCMMC_Geom.hh
ncrystal_core/include/NCrystal/internal/NCMMC_RunSim.hh
ncrystal_core/include/NCrystal/internal/NCMMC_SimMgrMT.hh
ncrystal_core/include/NCrystal/internal/NCMMC_Source.hh
ncrystal_core/include/NCrystal/internal/NCMMC_StdEngine.hh
ncrystal_core/include/NCrystal/internal/NCMMC_StdTallies.hh
ncrystal_core/include/NCrystal/internal/NCMMC_Tally.hh
ncrystal_core/include/NCrystal/internal/NCMMC_Utils.hh
ncrystal_core/include/NCrystal/internal/NCMath.hh
ncrystal_core/include/NCrystal/internal/NCMatrix.hh
ncrystal_core/include/NCrystal/internal/NCMsg.hh
ncrystal_core/include/NCrystal/internal/NCOrientUtils.hh
ncrystal_core/include/NCrystal/internal/NCPCBragg.hh
ncrystal_core/include/NCrystal/internal/NCPlaneProvider.hh
ncrystal_core/include/NCrystal/internal/NCPointwiseDist.hh
ncrystal_core/include/NCrystal/internal/NCProcCompBldr.hh
ncrystal_core/include/NCrystal/internal/NCRandUtils.hh
ncrystal_core/include/NCrystal/internal/NCRomberg.hh
ncrystal_core/include/NCrystal/internal/NCRotMatrix.hh
ncrystal_core/include/NCrystal/internal/NCSABEval.hh
ncrystal_core/include/NCrystal/internal/NCSABExtender.hh
ncrystal_core/include/NCrystal/internal/NCSABFactory.hh
ncrystal_core/include/NCrystal/internal/NCSABIntegrator.hh
ncrystal_core/include/NCrystal/internal/NCSABSampler.hh
ncrystal_core/include/NCrystal/internal/NCSABSamplerModels.hh
ncrystal_core/include/NCrystal/internal/NCSABScatter.hh
ncrystal_core/include/NCrystal/internal/NCSABScatterHelper.hh
ncrystal_core/include/NCrystal/internal/NCSABUCN.hh
ncrystal_core/include/NCrystal/internal/NCSABUtils.hh
ncrystal_core/include/NCrystal/internal/NCSABXSProvider.hh
ncrystal_core/include/NCrystal/internal/NCSANSSphScat.hh
ncrystal_core/include/NCrystal/internal/NCSANSUtils.hh
ncrystal_core/include/NCrystal/internal/NCSCBragg.hh
ncrystal_core/include/NCrystal/internal/NCScatKnlData.hh
ncrystal_core/include/NCrystal/internal/NCSpan.hh
ncrystal_core/include/NCrystal/internal/NCSpline.hh
ncrystal_core/include/NCrystal/internal/NCStrView.hh
ncrystal_core/include/NCrystal/internal/NCString.hh
ncrystal_core/include/NCrystal/internal/NCVDOSEval.hh
ncrystal_core/include/NCrystal/internal/NCVDOSGn.hh
ncrystal_core/include/NCrystal/internal/NCVDOSToScatKnl.hh
ncrystal_core/include/NCrystal/internal/NCVector.hh
ncrystal_core/src/NCAbsOOV.cc
ncrystal_core/src/NCAtomDB.cc
ncrystal_core/src/NCAtomDBExtender.cc
ncrystal_core/src/NCAtomData.cc
ncrystal_core/src/NCAtomUtils.cc
ncrystal_core/src/NCBkgdExtCurve.cc
ncrystal_core/src/NCCfgManip.cc
ncrystal_core/src/NCCfgTypes.cc
ncrystal_core/src/NCCfgVars.cc
ncrystal_core/src/NCCompositionUtils.cc
ncrystal_core/src/NCDataSources.cc
ncrystal_core/src/NCDebyeMSD.cc
ncrystal_core/src/NCDefs.cc
ncrystal_core/src/NCDump.cc
ncrystal_core/src/NCDynInfoUtils.cc
ncrystal_core/src/NCDynLoader.cc
ncrystal_core/src/NCElIncScatter.cc
ncrystal_core/src/NCElIncXS.cc
ncrystal_core/src/NCEqRefl.cc
ncrystal_core/src/NCException.cc
ncrystal_core/src/NCFact.cc
ncrystal_core/src/NCFactImpl.cc
ncrystal_core/src/NCFactRequests.cc
ncrystal_core/src/NCFactThreads.cc
ncrystal_core/src/NCFactTypes.cc
ncrystal_core/src/NCFactoryJobs.cc
ncrystal_core/src/NCFactoryUtils.cc
ncrystal_core/src/NCFactory_NCMAT.cc
ncrystal_core/src/NCFastConvolve.cc
ncrystal_core/src/NCFileUtils.cc
ncrystal_core/src/NCFillHKL.cc
ncrystal_core/src/NCFmt.cc
ncrystal_core/src/NCFreeGas.cc
ncrystal_core/src/NCFreeGasUtils.cc
ncrystal_core/src/NCGasMixFact.cc
ncrystal_core/src/NCGasMixUtils.cc
ncrystal_core/src/NCGaussMos.cc
ncrystal_core/src/NCGaussOnSphere.cc
ncrystal_core/src/NCHists.cc
ncrystal_core/src/NCInfo.cc
ncrystal_core/src/NCInfoBuilder.cc
ncrystal_core/src/NCIofQHelper.cc
ncrystal_core/src/NCKinUtils.cc
ncrystal_core/src/NCLCBragg.cc
ncrystal_core/src/NCLCRefModels.cc
ncrystal_core/src/NCLCUtils.cc
ncrystal_core/src/NCLatticeUtils.cc
ncrystal_core/src/NCLauLazyFact.cc
ncrystal_core/src/NCLazy.cc
ncrystal_core/src/NCLazy.hh
ncrystal_core/src/NCLoadNCMAT.cc
ncrystal_core/src/NCMMC_BasketSrcFiller.cc
ncrystal_core/src/NCMMC_Geom.cc
ncrystal_core/src/NCMMC_ParseCfg.hh
ncrystal_core/src/NCMMC_RunSim.cc
ncrystal_core/src/NCMMC_Source.cc
ncrystal_core/src/NCMMC_Sphere.hh
ncrystal_core/src/NCMMC_StdEngine.cc
ncrystal_core/src/NCMMC_Utils.cc
ncrystal_core/src/NCMatCfg.cc
ncrystal_core/src/NCMath.cc
ncrystal_core/src/NCMatrix.cc
ncrystal_core/src/NCMem.cc
ncrystal_core/src/NCMsg.cc
ncrystal_core/src/NCMsgCtrl.cc
ncrystal_core/src/NCNCMATData.cc
ncrystal_core/src/NCOrientUtils.cc
ncrystal_core/src/NCPCBragg.cc
ncrystal_core/src/NCParseNCMAT.cc
ncrystal_core/src/NCPlaneProvider.cc
ncrystal_core/src/NCPluginMgmt.cc
ncrystal_core/src/NCPointwiseDist.cc
ncrystal_core/src/NCProc.cc
ncrystal_core/src/NCProcCompBldr.cc
ncrystal_core/src/NCProcImpl.cc
ncrystal_core/src/NCQuickFact.cc
ncrystal_core/src/NCRNG.cc
ncrystal_core/src/NCRandUtils.cc
ncrystal_core/src/NCRomberg.cc
ncrystal_core/src/NCRotMatrix.cc
ncrystal_core/src/NCSABData.cc
ncrystal_core/src/NCSABEval.cc
ncrystal_core/src/NCSABExtender.cc
ncrystal_core/src/NCSABFactory.cc
ncrystal_core/src/NCSABIntegrator.cc
ncrystal_core/src/NCSABSampler.cc
ncrystal_core/src/NCSABSamplerModels.cc
ncrystal_core/src/NCSABScatter.cc
ncrystal_core/src/NCSABUCN.cc
ncrystal_core/src/NCSABUtils.cc
ncrystal_core/src/NCSABXSProvider.cc
ncrystal_core/src/NCSANSFact.cc
ncrystal_core/src/NCSANSSphScat.cc
ncrystal_core/src/NCSANSUtils.cc
ncrystal_core/src/NCSCBragg.cc
ncrystal_core/src/NCSCOrientation.cc
ncrystal_core/src/NCScatKnlData.cc
ncrystal_core/src/NCSpline.cc
ncrystal_core/src/NCStdAbsFact.cc
ncrystal_core/src/NCStdMPScatFact.cc
ncrystal_core/src/NCStdScatFact.cc
ncrystal_core/src/NCStrView.cc
ncrystal_core/src/NCString.cc
ncrystal_core/src/NCTDProd.cc
ncrystal_core/src/NCTextData.cc
ncrystal_core/src/NCThreadPool.cc
ncrystal_core/src/NCThreadPool.hh
ncrystal_core/src/NCTypes.cc
ncrystal_core/src/NCVDOSEval.cc
ncrystal_core/src/NCVDOSGn.cc
ncrystal_core/src/NCVDOSToScatKnl.cc
ncrystal_core/src/NCVector.cc
ncrystal_core/src/NCVersion.cc
ncrystal_core/src/ncrystal.cc
ncrystal_geant4/include/G4NCrystal/G4NCInstall.hh
ncrystal_geant4/include/G4NCrystal/G4NCManager.hh
ncrystal_geant4/include/G4NCrystal/G4NCMatHelper.hh
ncrystal_geant4/include/G4NCrystal/G4NCrystal.hh
ncrystal_geant4/src/G4NCInstall.cc
ncrystal_geant4/src/G4NCManager.cc
ncrystal_geant4/src/G4NCMatHelper.cc
ncrystal_geant4/src/G4NCProcWrapper.cc
ncrystal_geant4/src/G4NCProcWrapper.hh
scripts/ncrystal_cif2ncmat
scripts/ncrystal_endf2ncmat
scripts/ncrystal_hfg2ncmat
scripts/ncrystal_inspectfile
scripts/ncrystal_ncmat2cpp
scripts/ncrystal_ncmat2hkl
scripts/ncrystal_onlinedb2ncmat
scripts/ncrystal_vdos2ncmat
scripts/ncrystal_verifyatompos
scripts/nctool