Cantera 2.6.0 Changelog - Cantera/cantera GitHub Wiki
This list is organized by pull request and includes all changes since Cantera 2.5.1.
- #1267 Release 2.6.0
- #1268 [SCons] Display SCons version
f4810d2[2022-05-01] [SCons] Display SCons version
- #1264 Add Peng-Robinson and fix plasma references in Sphinx
227745e[2022-04-30] [Sphinx] Add Peng-Robinson and fix plasma references
- #1265 Fix compatibility with SCons 3.x
- #1263 Port
lithium_ion_battery.mto Python - #1255 Update Python docstrings
0a7b436[2022-04-30] [Doc] Eliminate 'i.e.' and 'e.g.'65b82b9[2022-04-28] [Python/Examples] Improve short summaries used on websitecf31f49[2022-04-28] Move INSTALL to INSTALL.md1f1fecc[2022-04-28] Fix outdated INSTALL instructions00aa150[2022-04-28] Fix docstring for MultiSpeciesThermo::update_singleae0d361[2022-04-28] Fix FlameBase X, Y, and concentrations docstrings8690fc1[2022-04-28] [doc] Add docstrings for undocumented Python methods/propertiesa4de40a[2022-04-26] [Python/doc] Fix thermal_conductivity docstringse9e2b0a[2022-04-26] [Python/examples] Fix error from using pathlib5f38a07[2022-04-26] [doc] Fix broken links to Python member functionse357ba6[2022-04-26] [doc] Add members from _SolutionBase to Sphinx docs
- #1256 Fix bug with electrochemical-legacy
- #1261 Direct pip to build in place and not in /tmp
b5f2194[2022-04-29] Direct pip to build in place and not in /tmp
- #1257 Enforce third-body concentration as argument to falloff_function
- #1252
ck2yamlStrip optional +M from PLOG reactions - #1249 Update YAML Sphinx documentation
ab8aee9[2022-04-25] [Sphinx] Add link to phases documentation06107b5[2022-04-24] [Sphinx] Make reaction rate documentation consistentb093ad8[2022-04-24] [Sphinx] Update YAML documentation for 'type' entry86e5ed9[2022-04-24] [Sphinx] Update YAML documentation for surface reactions65ebc8f[2022-04-24] [Sphinx] Add Tsang to YAML documentationfb21bd9[2022-04-24] [Sphinx] Fix links after website update
- #1250 Add condensed species data for missing T ranges
2b111e6[2022-04-25] [data] Add condensed species data for missing T ranges
- #1190 Plasma phase
677558c[2022-04-22] [plasma] Add YAML docse1bb478[2022-04-21] [plasma] Use a custom exception class for invalid methodsf97c87e[2022-04-18] [plasma] Add 'discretized' to function name02a5860[2022-04-17] [plasma] add test_add_multiple_electron_speciesc629988[2022-04-17] [transport] fix electron species index initializationb3aa2f0[2022-04-17] [plasma] add key normalize and fix get set parameters22b0772[2022-04-16] [plasma] add normalizeElectronEnergyDistributiona0ec865[2022-04-16] [thermo] Add option of using Simpson's rule for EEDF89dc414[2022-04-05] [plasma] check for errors in electron energy levels and distributionb440d16[2022-03-24] [plasma] add ThermoYamlRoundTrip test5f133ee[2022-03-22] [plasma] use raw pointer for get/set methodsd69f293[2022-03-22] [plasma] add distribution type and input file parameters1de01a3[2022-03-22] [plasma] add key electron-energy-distribution-function8c8bc2c[2022-03-21] [plasma] use Eigen::ArrayXd for m_electronEnergyLevelse46c22e[2022-03-20] [plasma] add functions to manage isotropic shape factor081b70f[2022-03-20] [plasma] use addSpecies to find electron species index6f07f0c[2022-03-15] [plasma] change name of updateIsotropicElectronEnergyDistribution41d3cb3[2022-03-15] [plasma] abbreviation of calculation (Boltzmann constant)554605f[2022-03-09] [plasma] use Eigen::Mapf48c027[2022-03-05] [plasma] Add doxygen docs and move Python functions to ThermoPhase54e3164[2022-03-01] [plasma] move tests to test_thermo.pyaf58927[2022-03-01] [plasma] change electronEnergyGrid to Levels5c76008[2022-03-01] [plasma] move plasma back to thermo.pyx6375afc[2022-03-01] [plasma] reduce line length7a09d5a[2022-02-21] [thermo] update handling of electron temperature75c1406[2022-02-28] [plasma] move plasma back to thermo folder5c3bbce[2022-02-22] [plasma] improve documentationc9dd368[2022-02-21] [thermo] set Te = T when thermo=IdealGas83d8f96[2022-02-19] [plasma] remove electron distrb method7b0fe4f[2022-02-15] [plasma] use LinSpaced for init grid95d4ba5[2022-02-14] add vscode to .gitignore6e36edc[2022-02-13] [plasma] add test_mean_electron_energy41d1853[2022-02-11] [plasma] change electron thermo modelec1a73e[2022-02-11] [plasma] add _updateThermo()bc63b74[2022-02-08] [plasma] add documentationf6f05fa[2022-02-07] [plasma] separate tests for isotropic-velocity and user-specified38cf0b2[2022-02-07] [plasma] calculate mean electron energy using trapezoidal rule61899f7[2022-02-07] [plasma] add test_set_electron_energy_distributionfdc5f96[2022-02-07] [plasma] add get/setElectronEnergyDistrb6906025[2022-02-07] [plasma] add logic for user-specified EEDF9af6261[2022-02-05] [plasma] Add class PlasmaPhase with isotropic EEDF
- #1248 Fix erroneous temperature ranges in nasa_condensed.yaml
af3ed88[2022-04-23] [data] Add reference information from McBride report984123a[2022-04-20] [data] Fix temperature ranges in nasa_condensed.yaml05ed4b3[2022-04-20] [ck2yaml] Add support for format with single intermediate temperaturea41522c[2022-04-20] [ck2yaml] Preserve spaces in thermo note
- #1242 Add
SolutionArray :set_mixture_fractionmethod.08602cd[2022-04-22] [Test/Cython] Fix assert raises regexe92bad5[2022-04-22] [Cython/Test] Use array/regex testing methods15f63e5[2022-04-22] [Cython/Test] Use array tests and regex match2d504a6[2022-04-22] SolutionArray.set_mixture_fraction.py unit test010354b[2022-04-21] Update broadcasting comment.885c0ef[2022-04-17] Improve comments incomposite.pyec0f4e5[2022-04-14] AddSolutionArray :set_mixture_fractionmethod.
- #1247 YAML surface phase requires kinetics model
44bb6ff[2022-04-19] [UnitTests] Add tests for default surface kinetics112fa2b[2022-04-20] [Input] Require kinetics key if phase has reactions entry649837f[2022-04-19] [Input] Do not require reactions key if phase has no kinetics entryba4fa38[2022-04-19] [Kinetics] Make default kinetics type dependent on phase dimensions
- #1243 Fix RPATH related issues
- #1072 Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes
e7b931b[2022-04-14] Extend BinarySolutionTabulatedThermo by tabulated molar volumesfda4cc0[2022-04-13] Extend BinarySolutionTabulatedThermo by tabulated molar volumes0ea1a43[2022-04-06] Extend BinarySolutionTabulatedThermo by tabulated molar volumesc748b09[2021-08-06] Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes7e30911[2021-07-13] Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes
- #1241 Fix missing files in MSI
6200ea0[2022-04-10] [SCons] Fix missing files in MSI
- #1240 Fix python-minimal installation issues
- #1239 Prevent aggressive pip uninstallation of existing package
0d29d6a[2022-04-06] [SCons] Prevent aggressive pip uninstallation of existing package
- #1236 Fix/deprecate 'from_pandas' interface
01b1a4b[2022-04-05] [Python] Disable FlameBase.from_pandas
- #1234 Add keywords to examples
b4616ef[2022-04-03] Allow running example-keywords.py from any location2566df0[2022-04-02] Add CI test for keywords in examples720df8f[2022-04-02] Add explicit list of example files with no keywords8187a86[2022-04-02] Add ability to compare against known keywordsff29637[2022-04-02] Add keywords to Fortran examples9b8212c[2022-04-02] Add keywords to C++ examplesbc24b96[2022-04-02] [Doc] Add a script for parsing example keywordsb84a9ce[2022-03-30] Add keywords to Matlab examplesce4c043[2022-03-28] Add keywords to Python examples
- #1232 Fix building sdist and wheels and conda packages
6102cd5[2022-03-30] [SCons] Only resolve prefix if stage_dir isn't setb99d510[2022-03-30] Add a docstring to DefineDict in the sdist builder30a397a[2022-03-29] [sdist] Reduce wheel size on Linuxad50605[2022-03-29] [sdist] Fix platform-dependent sdistab6831b[2022-03-29] [SCons] Fix config options for sdist9483511[2022-03-29] [Cython/Test] Fix tests writing to local directory56bf455[2022-03-29] [Cython] Allow instances of Path in write_yaml957376b[2022-03-29] [CI] Fix name of versioned Boost folder
- #1229 Fix build issues - macOS rpath, wheel paths, missing pytest
60d56e1[2022-03-29] Eliminate NEEDS_GENERIC_TEMPL_STATIC_DECLd30b76a[2022-03-29] Fix errors due to setuptools 61.0af4fbd2[2022-03-27] Suppress ctml_writer deprecation warnings during build308bffd[2022-03-27] Fix MSVC warning about mismatched qualifiersf0ec6bb[2022-03-27] [CI] Pin jinja2 to fix incompatibility with Sphinx<4.061c59bd[2022-03-26] [SCons] Provide better error message when pytest is missingb8a44ba[2022-03-26] [SCons] Fix RPATH linkage on macOS749d024[2022-03-26] [SCons] Determine name of macOS wheel in advance1bed0f9[2022-03-26] [SCons] Fix expected name of .whl filecc80e5b[2022-03-26] [SCons] Fix linking to system version of fmt
- #1231 Documentation updates
04142f6[2022-03-27] Add YAML docs for two-temperature-plasma reactionaf9352f[2022-03-27] [Examples] Provide extended description for website6d30c59[2022-03-27] [Doc] Clarify rationale for ArrheniusRateBase._cinit78d7b10[2022-03-27] [Doc] Fix links in TwoTempPlasmaRate constructor05ab780[2022-03-27] [Doc] Describe list-based format for coverage dependenciesf6aae83[2022-03-27] [Examples] dusty_gas.py requires Cantera 2.6.0
- #1227 Multicomponent diffusion coefficient documentation.
cd98c25[2022-03-24] Multicomponent diffusion coefficient documentation
- #1200 [kinetics] fix TwoTempPlasma documentation
fabc907[2022-03-23] [Kinetics] fix documentation for TwoTempPlasmaRate
- #1221 Bump version to 2.6.0b1
feb6a0f[2022-03-19] Bump version to 2.6.0b1
- #1222 Disable Python 3.6
10ba578[2022-03-23] [SCons] Fix message formatting3f25aca[2022-03-23] [SCons] Check for Python version prior to importing buildutils1485345[2022-03-20] [SCons] Always throw error if minimum Python version is not met536c1cc[2022-03-20] [SCons] Require Python 3.7629014f[2022-03-20] [SCons] Use f-strings and logger messages
- #1158 Add package workflow
ccfe913[2022-03-21] [SCons] Move prefix string replacement1edc701[2022-03-21] [SCons] Avoid normpath for prefix79b1dd7[2022-03-20] [SCons] Fix build errors on Windowsb954b80[2022-03-19] [SCons] Refactor post-installation message9843727[2022-03-19] [SCons/Cython] Fix install prefix2a69135[2022-03-19] [SCons] Correct a type in the config optionsa21d526[2022-03-15] Address review comments5df5411[2022-03-15] [CI] Switch Boost download to jfrogb4b2390[2022-03-15] [SCons] Fix RPATH for Clang92cc862[2022-03-15] [CI] Fix errors in CI07067bd[2022-03-14] [SCons] Clean up the cleaning process65e97d8[2022-03-14] [CI] Reset CI building to defaults61602f2[2022-03-14] [CI] Trigger macOS package builds915255a[2022-03-14] [CI] Add Windows MSI job8460994[2022-03-13] [SCons] Remove setup_scripts instructionsb1bbedd[2022-02-16] [CI] Add a step to trigger Conda builds91d065b[2022-02-13] [SCons] Correct RPATH prefix for Clangf8beb85[2022-02-12] [Test/Reactor] Relax tolerance for custom reactorf8a0f87[2022-02-12] Raise an error if the submodules aren't present66f270f[2022-02-07] Flake8/quotes stuffcfc5ee6[2022-02-07] [SCons] Python minimal uses pip to installf74c422[2022-02-06] [SCons] Change installation directory printoutda4f063[2022-02-06] [SCons/Cython] Change default python_prefix value5567c71[2022-01-18] [SCons/Cython] Use pip to build/install interface4672704[2022-02-06] [SCons] Fix if git is not present on the system7ad2c6d[2022-01-18] [Cython] Remove bdist_win installere6448b2[2022-01-18] [Cython] Remove unnecessary install option24ff7b5[2022-01-18] [SCons] Configure macOS target version for Pythoncc0d2aa[2022-01-18] [Cython/Test] Fix a test that doesn't use work dir4b8e28c[2022-01-17] [SCons/Cython] Remove Darwin prefix settingc9da8ee[2021-12-14] [CI] Add a new packaging workflow
- #1225 Additional Kinetics cleanup
5f35bd8[2022-03-21] Deprecate some unused derived constantsa2517d0[2022-03-21] [Kinetics] Fix use of "unconvertible" flag238d407[2022-03-21] [Doc] Fix a bunch of Doxygen warnings9b4f4de[2022-03-21] Validate that reactions are configured when adding to Kinetics78b5c2e[2022-03-20] [Kinetics] Eliminate PlogRate::setRateParameters702a101[2022-03-20] [Kinetics] Eliminate BulkRate template97e6f05[2022-03-20] [Kinetics] Remove Arrhenius-related code from BulkRate template
- #1226 Fix invalid unchecked cast to StFlow
edd82c6[2022-03-21] [1D] Fix invalid unchecked cast to StFlow
- #1223 Reorganize reaction rate classes
5f94a85[2022-03-20] [Kinetics] Deprecate obsolete reaction rate classes/methods7e5de46[2022-03-20] [Kinetics] Move ChebyshevRate to its own header filea7fba76[2022-03-20] [Kinetics] Move PlogRate to its own header filecb4e733[2022-03-20] [Kinetics] Move BlowersMaselRate to its own header filee2c56d7[2022-03-20] [Kinetics] Move TwoTempPlasma to its own header filedf2e016[2022-03-20] [Kinetics] Put ReactionData implementations with matching rates6e1d871[2022-03-19] [Kinetics] Make ReactionFactory internal
- #1216 Refactor electrochemical reactions
4bfd2a8[2022-03-18] [Python] Apply review suggestions to Python API573b493[2022-03-18] [Kinetics] Apply review suggestions5d7f3aa[2022-03-17] [Kinetics] Minor tweaks9a11d9b[2022-03-17] [Kinetics] Add missing check for modifyReactiond6b7aa2[2022-03-15] [UnitTests] Retain coverage of legacy electrochemistry implementation5627178[2022-03-14] [UnitTests] Update/add tests related to electrochemistrydbd1539[2022-03-14] [Python] Update electrochemistry-related properties0eac260[2022-03-14] [Kinetics] Move calculation of change of electrical potential energy10f2a04[2022-03-14] [Thermo] Ensure ThermoPhase::setElectricPotential invalidates cache6e53fd7[2022-03-14] [Kinetics] Add number of phases to ReactionData::resizefb43787[2022-03-14] [Kinetics] Join interface and electrochemical MultiRate evaluatorsa35faf1[2022-03-14] [Kinetics] Switch electrochemical reactions to new framework446d2f0[2022-03-14] [Kinetics] Deprecate InterfaceKinetics::electrochem_beta723671f[2022-03-13] [Kinetics] Implement MultiRate::processVoltageCorrectionsb4182ec[2022-03-13] [Kinetics] Implement rate-specific voltage correction149b2d9[2022-03-13] [Kinetics] Separate interface and electrochemical MultiRate evaluators1d1f163[2022-03-13] [Kinetics] Implement Reaction::checkElectrochemistry6e75592[2022-03-13] [Kinetics] Add electrochemical parameters to CoverageBase8e44b94[2022-03-13] [Kinetics] Remove unused magic numbers
- #1218 Fix Redlich-Kwong partial molar properties
- #1215 Check for valid component name when setting advance limits
719275e[2022-03-13] [Reactor] Check for valid component name when setting advance limits
- #1212 Minor tweaks for 2.6 beta
e6a5ffd[2022-03-08] Mark *_ddC and *_ddX derivatives as experimental
- #1181 Refactor interface kinetics
fc6a018[2022-03-07] [UnitTests] Add check for multiple sticking speciesce56b74[2022-03-05] [Kinetics] Refinine detection of sticking speciesf123bbb[2022-03-06] [Kinetics] Add comments to resizeReactionsb84659a[2022-03-05] [UnitTest] Replace references to CTI by YAML syntax0f2327e[2022-02-11] [UnitTests] Add tests for interface rates and reactionsf09000b[2022-03-05] [Kinetics] Update nomenclature for interface rate objects458acc2[2022-02-24] [Python] Fix links to base class methods and other Sphinx corrections6704645[2022-02-23] [Sphinx] Clarify nomenclature used for coverage dependencies9d38ee9[2022-02-14] [UnitTests] Update C++ tests for InterfaceKinetics6606da1[2022-02-23] [Python] Adopt review suggestions in APId6b180b[2022-02-23] [Kinetics] Add docstrings marking methods as experimentale540e4c[2022-02-23] [Kinetics] Strip unnecessary information from Reaction serialization39590d9[2022-02-23] [Kinetics] Avoid Arrhenius::update no-op function6a7f758[2022-02-23] [Kinetics] Differentiate parameters detected by StickingCoverage042c086[2022-02-23] [Kinetics] Remove access to activation temperature from API7b087b9[2022-02-23] [Kinetics] Implement review suggestions6a344f6[2022-02-15] [Sphinx] Update documentation19bdd25[2022-02-11] [Python] Add InterfaceRate<> and StickRate<> to API09c9492[2022-02-17] [Kinetics] Improve docstrings in Coverage.hedfc7e1[2022-02-16] [Kinetics] Re-introduce StickRate::validateeefc857[2022-02-16] [Kinetics] Enable alternative Arrhenius2::getParameters methods45e19fc[2022-02-15] Remove BlowersMaselInterfaceReaction2 and BMSurfaceArrhenius012046d[2022-02-15] [Kinetics] Switch StickRate<> to new frameworkae1f2d1[2022-02-14] [Kinetics] Switch InterfaceRate<> to new frameworkb658c69[2022-02-13] [Kinetics] Add BlowersMasel interface rates2aa2eb6[2022-02-13] Clarify role of deltaH in BlowersMasel3a9fe01[2022-02-13] [Kinetics] Make activationEnergy et al. virtualbcf7b78[2022-02-12] [Kinetics] Enable instantiation of interface reactionsa0ecd7d[2022-02-11] [Kinetics] Implement StickRate<> class templatebe7600a[2022-02-11] [Kinetics] Add StickCoverage397ee4a[2022-02-11] [Kinetics] Implement InterfaceRate<> class template6db368a[2022-02-10] [Kinetics] Implement Coverage class87da40c[2022-02-10] [Kinetics] Implement CoverageDatac8cf146[2022-02-10] [Kinetics] Prepare for alternative update methods239841b[2022-02-10] [Kinetics] Consolidate Reaction::checkBalance56de171[2022-02-10] [Kinetics] Prepare InterfaceKinetics for MultiRate objects1e2b10e[2022-02-10] [UnitTests] Update nomenclature to accommodate phases other than gas89f6eaa[2022-01-20] Rename InterfaceReaction to InterfaceReaction2b991b29[2022-01-22] [UnitTest] Add surface to kineticsfromscratch.yaml87167a4[2022-02-15] [UnitTests] Simplify Blowers-Masel inpute870584[2022-01-20] [Python] Add constructor for InterfaceReaction70fc981[2022-02-16] [SCons] Avoid crashes if no output is found in test suite
- #1208 GitHub runners for Windows 2022
8cdcef1[2022-03-03] [GH] Improve tests for installation3ec703f[2022-02-21] [SCons] Add MSVC 14.3 to option documentation23a72b7[2022-02-25] [GH] Check conda installation8c514cd[2022-02-25] [GH] Remove cache and switch to mamba for windows-2022 runner6a09d75[2022-02-25] [GH] Replace CI runners for windows-2016 by windows-2022
- #1202 Deprecate redundant kinetics methods in Python API
551a45c[2022-03-05] [Python] Fix docstrings and other tweaksfa10fef[2022-03-05] [Python] Always raise warnings for deprecated kinetics methods8360379[2022-02-19] [Python] Improve Reaction.repr for new frameworkb25a934[2022-02-20] [UnitTests] Replace deprecated methods947e8a0[2022-02-20] [Samples] Replace deprecated methodff633eb[2022-02-20] [Python] Add missing blank lines and fix indentation for Sphinx docst…9c2dc8a[2022-02-19] [Python] Mark redundant Kinetics methods as deprecated09c3769[2022-02-19] [Python] Remove Kinetics.reaction_type_str
- #1201 Translate warnings to Python
aa69bc2[2022-03-03] [Test] Use Pytest fixtures for a few simple cases395dc31[2022-02-19] [UnitTests] Replace C++ warning suppression by native Python handling484c5aa[2022-02-22] Implement review suggestions55a10b9[2022-02-22] [Python] Remove C++ warning infrastructure58a292f[2022-02-19] [Samples] Suppress DeprecationWarning in Python example66bcae5[2022-02-19] [Base] Add dedicated loggers for warningse615c06[2022-02-19] [Base] Enable generic warning messages4d99107[2022-02-19] Update Copyright information
- #1204 Fix
SolutionArrayextra slice - #1205 Detect description in
cti2yaml0dba120[2022-02-21] [UnitTest] Add unit test for description detected by cti2yaml16ef892[2022-02-25] [Input] Add validation to cti2yaml (in analogy to ck2yaml)dfbbf8f[2022-02-21] [Samples] Move sample input file to sample/data folderec44c6e[2022-02-16] [Input] Transfer description from CTI/XML to YAML8422d23[2022-02-21] [cti2yaml] Convert first comment to description
- #1206 Add dilution options to equivalence ratio functions
- #1197 Simple fixes
- #1196 Miscellaneous Python documentation fixes
36717bd[2022-02-16] [Doc] Consistently format Python module names using italicsfcfa267[2022-02-15] Wordsmith docstring for Sim1D.collect_data5ef0e99[2022-02-15] Clean up Python documentation0b9ed48[2022-02-14] [Python/Doc] Fix argument formattinga1300fb[2022-02-14] [Python/Doc] Fix some Sphinx-Doxygen links03d0477[2022-02-12] [Python/Doc] Fix equation formattinge1f3a90[2022-02-10] [Python] Remove leftover of old WallSurface implementation3c16ff7[2022-02-10] [Python] Remove outdated notes about sources of Sphinx warnings5fe8f40[2022-02-10] [Python] Fix constructor signatures in Sphinx docse5126ed[2022-02-10] [Python] Make extended arguments to Solution keyword-onlyb4fd056[2022-02-10] [Python] Make constructor signatures consistent for all Reaction types6f5848c[2022-02-10] [Python] Fix typos in reaction docstringsdd0d086[2022-02-09] [Python/Doc] Update docstring for Interface classd38a641[2022-02-09] [Doc] Fix confusing "property" label in Sphinx
- #1191 [SCons] Change prefix default if conda is detected
0b9eae3[2022-02-14] [SCons] Improve docstrings of options affected by the 'conda' layoutf6c0bdd[2022-02-11] [SCons] Redirect conda destination if 'stage_dir' is specifieda08a640[2022-02-11] [SCons] Simplify implementation per review comments544d26f[2022-02-10] [CI] Remove extra_*_dirs option from conda installed runnerff6dd22[2022-02-08] [SCons] Change prefix default if conda is detected
- #1187 Introduce BulkRate class template
5b58690[2022-02-08] [Kinetics] Eliminate chained function calls6eb1e83[2022-02-07] [Kinetics] Eliminate multiple inheritance91a4c39[2022-02-07] [UnitTests] Update tests and introduce pytest featuresb27da8b[2022-02-07] Eliminate C++ TwoTempPlasmaReaction class specialization7763579[2022-02-06] [Kinetics] Define TwoTempPlasmaRate as BulkRate4a2546c[2022-02-06] [Kinetics] Define BlowersMaselRate as BulkRate101155d[2022-02-06] [Kinetics] Introduce BulkRate<ReactionType,DataType> templatedc8d9e4[2022-02-06] [Kinetics] Re-introduce BlowersMasel class498473c[2022-02-06] Replace ArrheniusBase by Arrhenius3 as appropriatedb61bf9[2022-02-06] [Kinetics] Introduce Arrhenius3
- #1180 Implement serialization of Peng-Robinson phases
8c3a1b5[2022-01-22] Fix acentric factor for O2 and N2d4f0a68[2022-01-20] Remove unused MixtureFugacityTP::presureCalc713a77c[2022-01-19] [Thermo] Write critical parameters for Redlich-Kwong species0b17b69[2022-01-19] Make ThermoPhase::initThermoFile non-virtuala516a9f[2022-01-19] [Thermo] Implement serialization of Peng-Robinson322aad7[2022-01-19] Clean up formatting of PengRobinson
- #1189 [Shell] Deprecate shell setup scripts
0119484[2022-02-08] [Shell] Deprecate shell setup scripts
- #1184 Preamble to InterfaceKinetics refactoring
f85d54f[2022-02-06] Minor updatesdd11605[2022-02-06] Fix typo in 'SConstruct'ed99d74[2022-02-05] Add ArrheniusTypeRate to Sphinx documentation2ea0a25[2022-02-05] Various code and docstring improvementsca71c29[2022-01-30] [Kinetics] Remove remaining 'bulk' references and add todo comments7e7f51b[2022-01-30] [Kinetics] Re-introduce updateFromStruct instancesac1d2b6[2022-01-30] [Kinetics] Calculate Blowers-Masel deltaH internallyf9550fc[2022-01-30] Remove suffix '3' from ChebyshevRate(3)8a81af3[2022-01-30] [Kinetics] Add deprecation messages to legacy filescd9a6f5[2022-01-30] Mark remaining legacy objects with '2' suffix3263d74[2022-01-30] Switch PlogRate to use ArrheniusBase and limit use of 'Arrhenius'be5026e[2022-01-29] [Kinetics] Isolate serialization of legacy rates2f2635d[2022-01-29] [Kinetics] Consolidate getRateParameters versions9f4d37f[2022-01-29] Streamline nomenclature for activation_energy (Blowers-Masel)85ef392[2022-01-29] Mark ArrheniusBase as the successor of Arrhenius(2)7602d4d[2022-01-29] Use ArrheniusBase for low and high FalloffRate ratesb294aee[2022-01-29] Remove remmants of BlowersMasel2fa1bd61[2022-01-29] [Python] Consolidate constructors and properties in reaction.pyx4c99749[2022-01-29] [Kinetics] Add ReactionRate::setContext3787ab8[2022-01-29] [Kinetics] Rename MultiBulkRate to MultiRate3acdfb4[2022-01-22] [Kinetics] (Re)-implement updateFromStruct8944908[2022-01-28] [Kinetics] Make ArrheniusBase independent from ReactionRate4d65835[2022-01-28] [Kinetics] Fix compilation errors with 'no_legacy_reactions'=y1987498[2022-01-28] [CI] Add runner probing 'no_legacy_reactions' option33a1b5a[2022-01-28] [SCons] Add option to disable legacy reactions
- #1179 Resolve Yaml paper cuts
03c6e70[2022-01-19] [Python] Add Species.from_dict
- #1183 Eliminate unnecessary specialized Reaction types
2d772ab[2022-02-04] [Python] Document direct Reaction constructor0f46911[2022-02-04] [Python] Simplify constructor options for Reaction8e93256[2022-02-02] [Python] Make rate a required argument for Reaction constructor934bc1d[2022-01-29] Move Reaction initialization logic out of ReactionFactorye9e983c[2022-01-28] [Kinetics] Treat reactions with different rate types as non-duplicatesc79057a[2022-01-27] [Python] Rename Species.listFromFile to list_from_filea18602b[2022-01-27] [Python] Rename Reaction.listFromFile to list_from_file7ad3c21[2022-01-24] [Kinetics] Eliminate need for ChebyshevReaction35285660[2022-01-26] [Python] Fix ChebyshevRate.n_temperature and n_pressuref8c3815[2022-01-25] [Kinetics] Remove '(+M)' from Chebyshev reaction equationse285c1c[2022-01-25] Add a version of warn_deprecated that shows input file locationbdd4af5[2022-01-24] [Kinetics] Eliminate need for BlowersMaselReactionceb32e9[2022-01-23] [Kinetics] Eliminate need for PlogReaction3905e3f0[2022-01-20] [Kinetics] Eliminate need for ElementaryReaction3
- #1166 Two temperature plasma reaction
- #1154 FEAT: Added additional tools for Fortran calling codes
- #1178 Reduce precision in select tests to pass on alternate architectures
- #1169 Simplify creation of interface phases
b8937af[2022-01-18] Add test for detection of deprecated phase names5e32791[2022-01-18] Improve test coverage of Interface class1a4c056[2022-01-15] [Python] Use new adjacent phase handling in examples767cb3b[2022-01-15] Include adjacent phase info when converting mechsd790e26[2022-01-15] Update C++ tests to use new adjacent phase handling79352f6[2022-01-15] [Test] Fix sticking coeff error test in debug moded301a67[2022-01-13] [Python] Add adjacent phase handling to Python interfacef7d37c9[2022-01-13] [Thermo] Add file-based constructor for EdgePhase9467449[2022-01-04] [Input] Add adjacent-phases handling to YamlWriter3e06828[2022-01-04] [Solution] Handle multiple levels of adjacent phases7785d6c[2022-01-02] Add Interface class as a specialized version of Solutioneff534f[2022-01-02] [Solution] Automatically instantiate adjacent phases4c82acc[2022-01-02] [Test] Remove redundant blessed output filesd4f5887[2022-01-02] [Thermo] Make phaseNode argument const35739ee[2022-01-01] Fix syntax error in silane.yaml deprecationef26822[2022-01-01] Deprecate unnecessary Phase::setRoot method
- #1176 [SCons] Add info on git hash to SCons output
a0b62a4[2022-01-18] [SCons] Add info on git hash to SCons output
- #1168 Fix MSVC-specific compiler warnings / tweak method names
fcff592[2022-01-17] [Kinetics] Use C++ static_cast rather than C cast9652ccf[2022-01-15] [Python] Add missing 's' in '_rates_dd' derivative getter names2e4fc51[2022-01-15] [0D] Fix type-casts and formattinge6aaa98[2022-01-15] [1D] Fix type-cast from AnyMap19ddfdc[2022-01-15] [Kinetics] Properly type-cast variable to avoid compiler warningsc6d3e42[2022-01-15] [Kinetics] Ensure proper types for Eigen::Triplet indicesddc806f[2022-01-15] [Units] Fix windows-specific compiler warnings
- #1171 Check for required yaml-cpp features in SCons
fcbde32[2022-01-16] [SCons] Check for required yaml-cpp features
- #1173 Typo: equivalenceRatio.py is printing wrong results
4dfb9a1[2022-01-17] Typo: equivalenceRatio.py is printing wrong results
- #1167 Require pytest for test runners
c47efef[2022-01-14] [CI] Issue directions to install pytest when missing224cb7a[2022-01-14] [CI] Use pathlib features and update formatting36cd3ad[2022-01-14] [SCons] Remove unittest specific codec31d10f[2022-01-14] [GH Actions] Add pytest to remaining runnerd8ddcb6[2022-01-14] [CI] Remove unittest TestRunner support
- #1172 Fix script installation path on Fedora 36
367d701[2022-01-16] [SCons] Fix script installation path on Fedora 36
- #1089 Sparse Jacobians for GasKinetics
ec85c24[2022-01-14] [Kinetics] Remove return argument from ReactionData::restoreb20a25b[2022-01-14] [Kinetics] Fix nomenclature for buffered Delta G^0d94f7fa[2022-01-14] [Python] Shorten derivative suffixes to ddT, ddP, ddC and ddXe36939f[2022-01-13] [Kinetics] Switch to derivative getters that use raw pointersfb541d4[2022-01-13] [Kinetics] Simplify Jacobian index setupaa0b23b[2022-01-13] [Kinetics] Replace references to 'Jacobian' by 'derivatives'0fed59f[2022-01-13] [Kinetics] Issue warning for temperature derivative of Blowers-Masel5f5a005[2022-01-13] [Base] Implement ability to suppress C++ warnings (warn_user)c0890fe[2022-01-13] [Kinetics] Disable derivative calculation for non-ideal phasesd64b2b4[2022-01-13] [Thermo] Implement ThermoPhase::isIdeal()3cdd01a[2022-01-13] [Python] Rename use_sparse to _USE_SPARSEb9e6a01[2022-01-13] [UnitTests] Simplify docstrings in test_jacobian.py95b9dba[2022-01-13] [Kinetics] Update internal method namesd61de59[2022-01-13] [Kinetics] Clarify docstrings and apply tweaks per review suggestions19580f9[2022-01-12] [Samples] Add 'h2o2' and 'nDodecane_Reitz' to jacobian benchmarkda9f373[2021-12-27] [Kinetics] Update derivative of equilibrium constant3dc801f[2021-12-27] [Kinetics] Save Delta G^0 for reactions79898f7[2021-12-26] [Samples] Add jacobian benchmark testbae0d8c[2021-12-09] [UnitTests] Add test_jacobian.py to Python test suitea2f0dfe[2021-12-12] [UnitTests] Add derivative tests to test_reaction.pyef6c080[2021-12-25] Update nomenclature / switch species jacobian to mole fractions3c1f67d[2021-08-25] [Python] Create API for kinetics Jacobians23deedf[2021-12-24] [Kinetics] Streamline derivatives4521841[2021-12-24] [Kinetics] Remove EOS dependence from jacobianse56341c[2021-12-24] [Kinetics] Add molar density derivatives81b79c7[2021-12-24] [Kinetics] Add pressure derivatives1253a9d[2021-12-24] [Kinetics] Add impact of falloff to concentration derivatives12df8ad[2021-12-22] [Kinetics] Address impact of pressure at constant volumee350281[2021-12-22] [Kinetics] Fix scaling for derivatives related to third-body colliders8e61f1a[2021-12-19] [Kinetics] Implement MultiBulkRate::processRateConstants_ddPscaled742a296[2021-12-10] [Kinetics] Add third-body evaluation for FalloffRate evaluatorsedbcbf4[2021-08-25] [Kinetics] Add implementation of species Jacobians to GasKinetics3e8a911[2021-08-25] [Kinetics] Add implementation of temperature derivatives to GasKineticsb4f0ff2[2021-12-04] [Kinetics] Implement MultiBulkRate::processRateConstants_ddTscaledef7346f[2021-12-09] [Kinetics] Implement scaling by reaction order7730298[2021-12-16] [Kinetics] Implement temperature perturbation in ReactionData5e56cec[2021-08-24] [Kinetics] Create infrastructure for Jacobians in Kinetics.h5edb090[2021-12-03] [Kinetics] Implement ThirdBodyCalc::jacobianf3271b8[2021-12-03] [Kinetics] Implement StoichManagerN::jacobian
- #1099 electron-temperature reaction
591c28e[2022-01-12] [kinetics] change TwoTempPlasmaRate expressiona44bb82[2022-01-08] [thermo] rename m_elec_temp to m_electronTempa65e0b1[2022-01-08] [interface, test] input change names1ede6f8[2022-01-05] change key from Ea_T and Ea_Te to Ea and EE59cbcc9[2022-01-02] fix m_elec_temp init valued5d5eaf[2021-12-14] [test] add ETempRateTest and add TestETemp0a5b5ea[2021-12-12] [kinetics] make Arrhenius easy to implement and fix ETempRate197e965[2021-12-11] [test] add ETempFromYaml3deed32[2021-12-05] [kinetics, interface] add ETempReaction29e4c4b[2021-12-14] [kinetics, interface] add ETempData and ETempRate111521b[2021-12-05] [thermo, interface, test] add Tea136c9d[2021-12-04] [data] add ET_test.yaml
- #1162 Add support for Sundials 6.0
- #1159 Preparations for removal of CTI/XML
698c51c[2022-01-05] [Doc] Note XML deprecation with all XML examplesa3b6eb6[2021-12-19] [Test] Eliminate some unnecessary special cases6ccc68e[2021-12-19] Remove unused test data files2e9422b[2021-12-19] [Doc] Remove XML-centric, model-specific phase creation examples4dbe3de[2021-12-19] Update Matlab toolbox for CTI/XML deprecatione67d6bd[2021-12-19] Use YAML in Python doc examples838e0c0[2021-12-19] Deprecate array-based ThermoPhase::get/setParameters91d5e96[2021-12-19] Deprecate some XML-related functions566edf5[2021-12-06] Make CTI/XML deprecation warnings noisy687fad2[2021-12-18] [Test] Eliminate incidental use of CTI/XML in other Python tests1e22388[2021-12-18] [Test] Eliminate incidental use of CTI/XML in Python 1D tests9c75e55[2021-12-18] [Test] Eliminate incidental use of CTI/XML in Python kinetics testsc58f0d8[2021-12-18] [Test] Eliminate incidental use of CTI/XML in Python thermo tests9b83228[2021-12-19] [Test] Use YAML input files as reference for ck2yaml testsd91f8e3[2021-12-18] [Input] Fix ctml_writer unit handling for non-reactant orders763f0ce[2021-12-18] [ctml2yaml] Use YAML-preferred name for standard concentration model4d7c6b7[2021-12-18] [ctml2yaml] Fix typo in species max T handlinge1caf85[2021-12-18] [Test/1D] Update re-creation of reference profiles2979b02[2021-12-18] [cti2yaml] Create empty kinetics model when one is impliedfd96d5e[2021-12-06] [Test] Use YAML input files as reference for ctml2yaml testsb6b3175[2021-12-06] [Test] Sync inputs for pathological species name testsff27d5a[2021-12-06] [Test] Use YAML input files as reference for cti2yaml testsed10db5[2021-12-05] [Input] Read element standard entropies from YAML databaseae65ecd[2021-12-05] [Input] Add deprecation warnings for CTI/XML conversions4194a7a[2021-12-04] [1D] Fix saving residual as YAML
- #1003 Delegate reactor implementation to user-provided Python classes
76e2057[2021-12-31] [Reactor] Clean up some code formatting issuesb55d11f[2021-12-17] Document requirements for new delegated function typesfeb6492[2021-12-17] [Delegator] Document return value handling for before/after delegates2a0b189[2021-12-17] [Delegator] Document delegate mnemonics and make them consistent9070cfa[2021-12-17] [Delegator] Hold delegate references in Python instead of C++14f9678[2021-12-16] [Delegator] Fix calling delegated functions after prior exceptionaf6a334[2021-12-16] [Reactor] Include temperature in ReactorSurface synchronization22c3be6[2021-12-16] [Test] Add some more extensible reactor testscacef61[2021-12-15] [Test] Add extensible reactor test with multiple connected reactors16f7128[2021-12-15] [Reactor] Use more intuitive variable name for species equation RHS52a90f2[2021-12-15] [Delegator] Test raising exceptions from within delegates2077ca8[2021-12-12] [Test] Add an ExtensibleReactor test with surfaces77cb7ea[2021-12-15] [Python/Reactor] Sync state when accessing ReactorSurface.kineticse28be26[2021-12-14] [Python] Indicate additional methods that can throw C++ exceptions7d83883[2021-12-14] [Delegator] Check for errors with delegate inputs/outputs24d1b09[2021-12-14] Make demangle available outside AnyMap60cca1a[2021-12-14] Check for errors in assign_delegates752d593[2021-12-14] [Reactor] Modify signature of evalSurfaces008dc83[2021-12-12] [Python/Reactor] Make attached surfaces available via Reactor objectd344020[2021-12-12] [Kinetics] Make "declared-species" option work for surfacese49a351[2021-12-08] [Test] Add test of ExtensibleReactor with external heat transfer5174b85[2021-12-08] Update delegator-related documentationf46ae58[2021-12-08] Rename DelegatedReactor to ExtensibleReactor35e42a8[2021-12-08] [Delegator] Fix some formatting issues9ec107e[2021-12-07] Simplify delegation of functions with a return value094a48b[2021-12-07] Simplify delgators for functions that return void3130ecd[2021-12-07] Move size calculation out of delegate functionsb2ea6a6[2021-12-06] Fix custom2.py to use RHS/LHS eval functioncc7645e[2021-12-01] Minor formatting changes960befb[2021-08-10] Created new setDelegate method for void(double, double*, double*) type7b0bf9f[2021-06-09] Added RHS and LHS user variables to Reactor classc495435[2021-03-28] [Doc] Add documentation for delegation capabilities91821ea[2021-03-27] [Python] Support multiple levels of inheritance in delegated classes9c03eae[2021-03-25] [Reactor] Add methods for restoring thermo states from delegated reac…64db7b6[2021-03-25] [Python] Add some basic tests of delegated reactors3e74a20[2021-03-23] [Reactor] Introduce simpler function for reactor ODE function1e6c3f2[2021-03-23] [Reactor] Use ReactorNet to manage application of sensitivity paramse99749c[2021-03-22] [Python] Prefix replacement delegate methods with 'replace_'cb433cb[2021-03-22] Revise behavior of "after" delegates that return a value3c77ce7[2021-03-22] Modify delegate creator functions to return the delegatec2687e4[2021-03-20] [Reactor] Added a DelegatedReactor example with an extra equation5ef386f[2021-03-19] [Reactor] Make some member variables available to DelegatedReactor im…435ae43[2021-03-19] [Reactor] Add delegates for remaining core Reactor functions025eb84[2021-03-19] [Reactor] De-virtualize some generic get/set functionsaab7d33[2021-03-19] [Reactor] Add ability to delegate methods with return values7d470e9[2021-03-19] [Reactor] Generalize mechanism for registering delegated functions6be9eea[2021-03-18] [Reactor] Add ability to delegate functions that take array arguments16617b4[2021-03-17] [Reactor] Make reference counting for delegated methods more robustfb8be6b[2021-03-16] [Reactor] Proof of concept for delegating methods to Python
- #1163 Bump version to 2.6.0a4
7f1d013[2021-12-29] Bump version to 2.6.0a4
- #1161 Prevent errors due to unsafe math optimizations
da12213[2021-12-22] [Test] Impove consistency of VCS-LiSi-verbose output5e2ade6[2021-12-22] [CI] Run some CI builds with unsafe math optimizationsa57cb46[2021-12-22] [Test] Relax some test tolerances6f27ca4[2021-12-22] [Test] Avoid exact float comparisons9daebd9[2021-12-22] [SCons] Require a working implementation of std::isnanafb8a5d[2021-12-22] [SCons] Use specified compiler options for configuration checks
- #1038 [Kinetics] Fix issue 717, Add check for sticking coefficient more than 1
80c1e56[2021-05-12] [Kinetics] Add check for sticking coefficient more than 1
- #692 Pickle serialization of Solution objects
50144ab[2021-11-28] [UnitTests] Add tests for pickling and empty objectse247c32[2021-12-14] [Python] Prevent stand-alone Kinetics and Transport objectsc20df57[2021-12-14] [Python] Ensure that ThermoPhase constructor is always called firstafbf45d[2021-12-14] [Python] Simplify pickle and update instantiation logic2e2bdf3[2021-12-09] [Python] Ensure transport handler is always properly set2cf0d6b[2021-11-28] [Python] Accommodate empty Kinetics objects748a78c[2021-11-28] [Thermo] Make error messages more meaningfula985aec[2021-11-28] [Python] Enable safe handling of empty Solution objects01e517c[2021-11-28] [Transport] Register base model as 'none' in TransportFactory28abb09[2021-11-28] [Thermo] Clarify base ThermoPhase::type as 'None'd55cd32[2021-11-28] [Kinetics] Clarify base Kinetics::kineticsType as 'None'92a4d71[2021-04-16] [Python] Mark SolutionArray as not picklable7964cf3[2019-08-13] [Input] Implement pickle serialization for Solution objects4dc4eb5[2021-11-28] [Python] Implement string output for Solution.write_yaml()
- #1153 Update ReactionData and consolidate update strategies
51a92e3[2021-12-14] [Kinetics] Tweak docstrings/formatting and move code from header5b2e184[2021-12-13] [Kinetics] Improve docstrings for ReactionData update mechanism84243b4[2021-12-12] [UnitTests] Update test suite2293304[2021-12-12] [Kinetics] Remove unnecessary arguments from ReactionData::updatee58bd3d[2021-12-12] [Kinetics] Remove unnecessary service functionsa0b9960[2021-12-12] [Kinetics] Ensure getThirdBodyConcentrations is up-to-date58ceb33[2021-12-12] [Samples] Update blowers_masel.py examplec48bead[2021-12-12] [Kinetics] Remove unnecessary checks26165d0[2021-12-12] [Kinetics] Update reaction index when modifying reactions78bf28a[2021-12-12] [Cython] Fix BlowersMaselRate inheritance in _cantera.pxd82d089b[2021-12-12] [Kinetics] Remove buffered deltaH from BlowersMaselRate0d13521[2021-12-12] [Kinetics] Remove buffered third-body concentration from Falloff8fb348e[2021-12-12] [Kinetics] Implement third parameter to reaction rate evaluatorse745d2c[2021-12-10] [Kinetics] Simplify MultiBulkRate::update3e9edde[2021-12-10] [Kinetics] Remove calls for individual rate updates from MultiBulkRate12de1c7[2021-12-10] [Kinetics] Remove updateFromStruct from PlogRate and ChebyshevRate38793706[2021-12-10] [Kinetics] Remove updateFromStruct from BlowersMaselRate and FalloffRate2dce929[2021-12-08] [Kinetics] Make pressure accessible for all ReactionData structs36b08a2[2021-12-06] [UnitTests] Add test for ArrheniusRate derivative1ede287[2021-12-06] [Kinetics] Replace CustomFunc1Data by ArrheniusData1ecd1ed[2021-12-05] [Kinetics] Clarify docstrings for ReactionRate testing interface0e65df1[2021-12-05] [Kinetics] Create base class for ReactionDataa426d64[2021-12-04] [Kinetics] Update ReactionRate derivative calculators to use scaled v…485d9c1[2021-08-25] [Kinetics] Split GasKinetics::updateROP into reusable parts
- #1145 Add Python 3.10 to the CI runners
c7c2082[2021-12-11] [SCons] Fix AttributeError when generating license60c4a81[2021-12-11] [CI] Add a LLVM/Clang compiler job7b5663d[2021-12-10] [SCons] Disable OMP on XCode Clangac642c9[2021-12-07] [CI] Test with SUNDIALS 5.8291359f[2021-12-07] [CI] Add names for more of the archived results024e9ed[2021-11-27] [CI] Use new Codecov uploader action787fea2[2021-11-26] [CI] Add Python 3.10 to CI runners
- #1156 Use normal sign convention for reactor heat transfer
208a89c[2021-12-08] [Reactor] Use normal sign convention for Reactor heat transfer
- #1144 Add GH Actions runners for mingw and Intel compiler
97ba0e1[2021-12-08] [CI] Add runner for intel-oneAPI classicf9d6398[2021-12-06] [CI] Add runner for new intel-oneAPI compilers6ebb009[2021-11-03] [CI] Add mingw runner1f62dce[2021-11-27] [UnitTest] Disable cubicSolver_Test::solve_cubic for mingw98b8760[2021-11-26] [SCons] Change icc compilation options9f7ca05[2021-12-06] [SCons] Enable optimized icx compilation4afece9[2021-11-25] [SCons] Prepare for 'icx' compiler
- #1152 Various documentation improvements
7fc5a2d[2021-12-04] [Doc] Make reactor network docs more discoverable0ff31a7[2021-12-04] [Doc] Fix most Doxygen warnings from VCS solver665792d[2021-12-04] [Doc] Remove config for deprecated Doxygen options47cb4bd[2021-11-28] [Doc] Fix errors indicated by various Doxygen warnings78190dd[2021-11-29] [Doc] Fix warnings about '@TODO'6e20a62[2021-11-29] [Doc] Fix incorrect / unbalanced Doxygen group delimiters2f2f587[2021-11-28] [Data] Deprecate silane.yaml387ffcf[2021-11-28] [Doc] Correct documentation of newThermoPhase
- #1151 Conditional rate updates for MultiRate reactions
- #1148 make explicit py_version_short
d5e075a[2021-11-30] make explicit py_version_short
- #1101 Wrap up GasKinetics
ad213c4[2021-12-02] [YAML] Fix glitch in formatDouble serialization08d3168[2021-11-27] [Units] Replace roundf by round02ad7be[2021-12-02] [1D] Do not impose bounds on inactive solution components0a234d8[2021-12-01] [Sphinx] Add new ReactionRate objects to Sphinx documentation2f363e2[2021-12-01] Address review commentsf086626[2021-11-30] [Kinetics] Clarify ChebyshevRate3::getParameters6a8a1d7[2021-11-30] [Units] Replace UnitsVector by struct UnitStackc60525f[2021-11-30] [Kinetics] Ensure that chemically-activated reactions are recognized5338f0f[2021-11-29] [Kinetics] Implement setters/getters for allowNegativePreExponentialF…f2dd248[2021-11-29] [Kinetics] Add suffix *Rate to Arrhenius, BlowersMasel, Plog and Cheb…0063411[2021-11-29] [Kinetics] Create separate ThirdBodyCalc3 class for new framework249912d[2021-11-29] [Kinetics] Add suffix *Rate to falloff class names0c6ea92[2021-11-29] Simple review comments4cf606c[2021-11-17] [Kinetics] Improve documentation for ReactionRate and MultiRate357ee2b[2021-11-17] [Kinetics] Remove unnecessary ReactionRate::update methods302696b[2021-11-17] [Kinetics] Automatically determine if reactions use update method5a73d72[2021-11-11] [Kinetics] Eliminate need to template ReactionRate typesfe512a0[2021-11-12] [Test] Fix running reaction tests with optimize=n85b9fe5[2021-10-21] [Kinetics] Rename ReactionRateBase to ReactionRate09e5a0f[2021-10-21] [Kinetics] Remove ReactionRate template7baeb51[2021-10-21] [Kinetics] Transition CustomFunc1Rate to RateEvaluatoraac425b[2021-10-21] [Kinetics] Transition ChebyshevRate3 to RateEvaluatoree89b4f[2021-10-21] [Kinetics] Transition PlogRate to RateEvaluatorc58bf1c[2021-10-19] [Kinetics] Introduce RateEvaluator<> templatebaac947[2021-10-18] [Unittest] Fix reaction tests with standalone rate objects5cd124a[2021-10-18] [Python] Remove Reaction3 fragmentsc2e7129[2021-10-17] Fix typos in docstrings and comments8b95587[2021-10-12] Fix docs build753e051[2021-10-12] Update/fix docstrings1dea6ae[2021-10-12] [Kinetics] Add todo note for logic update in GasKinetics::update_rates_T4143944[2021-10-09] [Unittest] Add Falloff tests to test_reaction.pyd600e5e[2021-10-11] [Kinetics] Differentiate between check and validate methodsdf11d89[2021-10-07] [Unittest] Update Falloff google testsafd2210[2021-10-11] [Kinetics] Ensure ReactionPath.h works with legacy reactions332b8f9[2021-10-09] [Python] Add new FalloffReaction implementation to APIbe8373c[2021-10-11] [Kinetics] Simplify handling of third-bodies in new frameworke838e37[2021-10-09] [Kinetics] Ensure Falloff reactions can be created from scratchda4e56b[2021-10-07] [Kinetics] Switch falloff reactions to new frameworkfd2d271[2021-10-08] [Samples] Fix BlowersMasel example5ecb683[2021-10-08] [Kinetics] Simplify reaction rate unit handlingdb90f81[2021-10-08] [Kinetics] Switch ReactionRateFactory to UnitsVectorf1af556[2021-10-08] [Kinetics] Add alternative calculateRateCoeffUnits method483ad0f[2021-10-08] [Kinetics] Make ReactionRateFactory more flexiblefca041e[2021-10-08] [Units] Implement static Units::product method9e3b126[2021-10-07] [Kinetics] Improve handling of explicitly specified collision partnersa8f2d60[2021-10-06] [Kinetics] Implement initial FalloffReaction3 classb73e601[2021-10-06] [Kinetics] Remove optional (+M) terms in specialized methodsf9266d9[2021-10-04] [Unittest] Add falloff reaction tests6ec59e5[2021-10-05] [Kinetics] Prepare FalloffReaction API for legacy support1ac13f4[2021-10-04] [Kinetics] Relabel legacy falloff reactions as FalloffReactions2a81e1aa[2021-10-03] [UnitTest] Add/update unit tests for BlowersMaselReaction93518d6[2021-10-03] [Python] Expose ArrheniusBase to API581fa7b[2021-10-03] [Kinetics] Switch Falloff hi/low rates to ArrheniusBasea985725[2021-10-03] [Kinetics] Differentiate Arrhenius/BlowersMasel versions 2 and 39a04b4f[2021-10-03] [Kinetics] Remove transitional BlowersMasel classese4fbf40[2021-10-03] [Kinetics] Refactor BlowersMaselReaction0ec827a[2021-09-23] [Kinetics] Ensure rate_index is set correctly6ab6901[2021-09-18] [Unittest] Add Falloff reaction rate testsde5b5ea[2021-09-23] [Kinetics] make Kinetics::getThirdBodyConcentrations const2dbf2b9[2021-09-22] [Kinetics] Buffer rate index for MultiRate objects38fc63d[2021-09-22] [Python] Use member variable to access C++ falloff0dbf545[2021-09-22] [Python] Use callback in ReactionRate.wrap to set cdef'd referencesd04dc6c[2021-09-19] Fix warnings/compilation errors45ff63a[2021-09-18] [Kinetics] Implement objects derived from FalloffRatece30f05[2021-09-18] [Unittest] Add BlowersMaselRate tests6ace811[2021-09-18] [Kinetics] Implement BlowersMaselRate3de7abec[2021-09-18] [Kinetics] Add type information to MultiRateBase66dd943[2021-09-17] [Kinetics] Switch ArrheniusRate to Arrhenius39f9c1ec[2021-09-17] [Kinetics] Introduce RateTemplate in ReactionRate.h597861d[2021-09-17] [Kinetics] Introduce new Arrhenius3 classc4dd5ed[2021-09-17] [Kinetics] Introduce Arrhenius.h with ArrheniusBase object121593e[2021-09-17] [Unittest] Simplify test_reaction.py suite850616e[2021-09-17] [Kinetics] Small adjustments and fixes03e60a1[2021-09-13] [Kinetics] Remove prefix 'm_' in ReactionData4f3864f[2021-09-08] [Unittest] Expand kineticsfromscratch.yamla991c5d[2021-09-17] [Kinetics] Make shared ReactionData more flexible2a1594e[2021-09-06] [Kinetics] Mark getReactionDelta as constd60651f[2021-09-07] [Python] Improve error message for invalid CustomRate inputbfa1745[2021-09-17] [Kinetics] Implement Kinetics::getThirdBodyConcentrations
- #1129 Read YAML using C++ newSolution in Python / access root level data
0805854[2021-11-27] [Transport] Update signature of new newTransport function1f23494[2021-11-26] [Transport] Remove 'NoTransport' class5a917b5[2021-11-25] [Solution] Limit YAML header to fields preceding 'phases' entry80386db[2021-11-25] [UnitTests] Fix failing test60c735b[2021-11-25] [Python] Remove local copies of shared_ptr in _SolutionBase70a4d2b[2021-11-24] Small fixes of docstrings and nomenclature33bbf54[2021-10-25] [CI] Switch sundials runner to pytestc5d9cd2[2021-10-25] [UnitTests] Add test for customized YamlWriter header2415356[2021-10-24] [Samples] Explicitly specify transport model in extract_submechanism.pyce5ea3e[2021-10-25] [Python] Make YAML header information customizable024c6d4[2021-10-25] [YamlWriter] Implement custom header information8245f8a[2021-10-24] [1D] Raise warning when transport model is implicitly set13e75a3[2021-10-24] [Python] Ensure C++ is aware of transport model changesb9a0e4f[2021-10-24] [Solution] Fix logic for Solution::parameters1c6af5d[2021-10-24] [UnitTests] Add googletests for transport model defaults051d099[2021-10-23] [UnitTests] Add tests for Solution.input_header2f07f00[2021-10-23] [Python] Build Solution from YAML input using C++ newSolutiona8f4e9e[2021-10-24] [Transport] Improve exception handling06898c1[2021-10-24] [Transport] Simplify allocation of empty transport managers00a38f5[2021-10-24] [Solution] Skip non-standard YAML reaction fields in headerda386e6[2021-10-23] [Solution] Add information on input data used for newSolution6a4c505[2021-04-16] [Python] Expose C++ YAML input data at root level4286197[2021-10-23] [Solution] Avoid re-parsing of YAML input in C++01a8cb6[2021-04-15] [CI] Switch test_transport.py tests to h2o2.yaml9a35c78[2021-10-23] [Python] Address unpythonic Species.fromYaml and Species.fromYamlFile
- #1075 Add pypi package
7f35015[2021-07-17] [Cython] Fix Windows builds7c5dfa9[2021-07-16] [CI] Relax setuptools requirement on Windows951e3a7[2021-07-16] [Python Minimal] Use setup.cfg configurationbc539f4[2021-07-16] [Cython] Use setup.cfg to configure the packageb07ad9e[2021-07-16] [Cython] Scope hypot redefinition6b58ecb[2021-07-16] [Cython] Import sysconfig directly283305c[2021-07-16] Deprecate global canteraRoot function76825d1[2021-07-14] [SCons] Build sundials_config and copy separately43cf88c[2021-02-03] [SCons/Python] Create the source distribution088b2c9[2021-07-16] [SCons] Use pathlib to write combined License file6c91015[2021-07-14] [SCons] Add a target for files copied from ext
- #1141 Update handling of critical properties
0e2a33d[2021-11-22] [Thermo] Avoid reading critical-properties.yaml multiple times700a422[2021-11-22] [Input] Improve formatting of errors referencing species nodes724c9d2[2021-11-21] [Transport] Read acentric factor from critical-parameters fielde3b4c18[2021-11-21] [Thermo] Convert critical properties database to YAML73b953b[2021-11-21] [Thermo] Read species 'critical-parameters' entries for Peng-Robinsona307f20[2021-11-21] [Thermo] Read species 'critical-parameters' entries for Redlich-Kwong
- #1142 [SCons] Add newline in nested reST lists
2e451d2[2021-11-22] [SCons] Add newline in nested reST lists
- #1137 Refactor SConstruct option handling / extract scons options v2
c603ce3[2021-10-31] [CI] Implicitly test 'scons help' options in 'Build docs' runnerc9e1d27[2021-10-31] [CI] Store artifact from docs build754f012[2021-11-20] [SCons] Use consistent type hinting for new classes in buildutils.py3989acb[2021-11-20] [SCons] Consistently use double quotes for configuration optionsdb17945[2021-11-20] [SCons] Print help comments for 'scons help'dc3613e[2021-11-20] [SCons] Add documentation for additional help command options5c54ba0[2021-11-03] [SCons] Add 'scons help --list-options'1e6b398[2021-11-03] [SCons] Switch help arguments to options37da000[2021-11-03] [SCons] Make ReST parser accessible from 'scons help'a4ef98e[2021-11-03] [SCons] Remove old implementation of 'scons help'aba3e70[2021-11-03] [SCons] Implement help for specific option395300d[2021-11-03] [SCons] Simplify handling of configurations98f18d9[2021-11-02] [SCons] Reimplement help based on new objects4679fed[2021-11-02] [SCons] Consolidate os.name == 'nt' options8036aec[2021-11-02] [SCons] Add command line options to get-optionse6d3721[2021-10-30] [SCons] Implement 'scons get-options'7a36172[2021-11-01] [SCons] Require SCons >= 3.0.0223ef41[2021-11-01] [SCons] Update comments69279f3[2021-11-01] [SCons] Document openmp_flag defaults5ffb6d2[2021-11-01] [SCons] Document pch_flags defaults1bbb93d[2021-11-01] [SCons] Switch CamelCase to snake_case for defaultsa03fcd6[2021-10-30] [SCons] Refactor default option selection in SConstruct0304d43[2021-10-30] [SCons] Update/fix SConstruct formatting
- #1140 Miscellanous small improvements
2d211db[2021-11-20] Fix miscellaneous spelling errorsc1c10cb[2021-11-20] Improve error messages from fpValueChecka886a7c[2021-11-20] [Doc] Add Mu0Poly and Nasa9PolyMultiTempRegion to Python docs1f5d7c9[2021-11-19] Use ruamel.yaml instead of ruamel_yaml48e26b4[2021-11-19] [1D] Remove unused variable OneDim::m_solve_time1dbc4eb[2021-11-19] [1D] Switch high-debug-level output from XML to YAML901e0c5[2021-11-18] Avoid repeated regex compilation
- #1133 Improve YAML formatting
4b4eee1[2021-11-19] [CI] Add tests for formatDouble in serialization236b7a0[2021-11-19] [Yaml] Ensure that multiple trailing zeros are removedd62eae2[2021-10-26] [UnitTest] Add test for literal string serialization5f7a45e[2021-10-26] [Yaml] Implement writing of 'literal' YAML strings4b5d9d0[2021-10-25] [Yaml] Update emitter for double
- #1127 cti2yaml: fix issues with composition strings and kinetics model of "None"
032de5e[2021-10-29] [cti2yaml] Do not let ambiguous reaction specification pass silently773b8ed[2021-10-23] [cti2yaml] Allow for selection of exact reaction ids in phase specifi…5816d08[2021-10-22] [cti2yaml] Allow for spaces after colon in CTI composition inputba25dd5[2021-10-22] [cti2yaml] Consistent handling of kinetics/transport='None'
- #1112 Use YAML for saving and loading 1D flame simulations
4570f3e[2021-10-26] [Input] Improve documentation of AnyMap YAML emitters36227f5[2021-10-20] [1D] Avoid serializing components that are not used in a given model82f00a4[2021-10-20] [YAML] Increase maximum line length when serializing450b3d2[2021-10-20] [1D] Improve ordering of keys in YAML output7ad344a[2021-10-20] [1D] Rename tolerances stored in YAML output filese38b4c2[2021-10-17] [1D] Update Python examples to use YAML output instead of XML8a84937[2021-10-17] [1D] Include Soret-enabled flag in YAML input/output1734036[2021-10-17] [1D] Save phase name and source file in YAML output6f2056f[2021-10-17] [1D] Include max grid point setting in YAML input/output824f791[2021-10-17] [1D] Include radiation-related properties in YAML outpute793cda[2021-10-17] [1D] Update YAML metadata fields5c468aa[2021-10-17] [1D] Move domains to top level of saved flame solutionbb47a5a[2021-10-07] [1D] Improve test coverage for YAML-based save/restoredb502b9[2021-10-06] [Matlab/1D] Fix usage of outdated component namesd98ea6f[2021-10-06] [1D] Update samples to use YAML output instead of XMLe9e173f[2021-10-06] [1D] Add generator and Cantera version to YAML output39e2cb4[2021-09-22] [1D/Test] Add tests of saving and restoring 1D solutions with YAML034b3e3[2021-09-22] [1D] Implement restoring flame solutions from YAML files3b8637f[2021-09-22] [1D] Add description and timestamp to YAML output files8bd19c1[2021-09-21] [1D] Remove unused member variable Domain1D::m_desc848c923[2021-09-21] [1D] Make StFlow::flowType a const functiondeb9139[2021-09-21] [1D] Serialize StFlow to YAMLb7c273a[2021-09-21] [1D] Improve serialization of absolute/relative tolerancesc6f96f6[2021-09-20] [1D] Implement serialization of Boundary1D objects to YAML2ff8c05[2021-09-20] [1D] Add basic framework for saving to YAML files0b68945[2021-09-17] [Input] Add a function for clearing cached input files
- #1116 scons build checks wrong location for eigen
0d7373f[2021-10-09] implement system location switch for Eigen/Dense
- #1122 Address fmt::format_to memory_buffer deprecation
- #1125 Fix evaluation of delta-star polynomials
6d2760b[2021-10-20] [Transport] Fix evaluation of delta-star polynomials
- #1123 Fix AnyValue test failures with old Boost versions
6b231b1[2021-10-19] [Test] Fix AnyValue test failures with old Boost versions
- #1124 Prevent inadvertent attribute assignment in Quantity
da9535a[2021-10-19] [Python] Prevent inadvertent attribute assignment in Quantity
- #1121 Add recommendations for whitespace use to CONTRIBUTING.md
1710352[2021-10-16] Add recommendations for whitespace use in CONTRIBUTING.md
- #1119 Update to full C++11 standard
- #1120 Fix logic error in CanteraTest.assertNear
f46c3bb[2021-10-06] [Test] Fix assertNear to handle inf and nan correctlye64450b[2021-10-17] [Test] Check that unassigned reaction rates return NaN8bfb4f8[2021-10-17] [Kinetics] Fix setting parameters of standalone Arrhenius ratesfeddb76[2021-10-17] [Test] Add workaround for Plog rate setting test3560a0d[2021-10-16] [Test] Use valid conditions for checking liquid water propertiesfca1378[2021-10-16] [Python/Transport] Fix handling of exceptions from CKModea623119[2021-10-16] [Kinetics] Fail fast when adding reactions with optimizations disabled
- #1110 Avoid C/C++ math constants specified as #define
- #1107 Update setup_cantera.in
a71b112[2021-09-30] Update setup_cantera.in
- #1109 Update example mechs
be95118[2021-10-01] revise test comparisons for updated cxx and fortran examples4a3410c[2021-10-01] update mech from gri30 to h2o2 in python examples35d75c2[2021-10-01] update mech from gri30 to ohmech in cxx examples where appropriatedaa73a2[2021-10-01] update mech from gri30 to ohmech in Matlab examples, but not tutorials5003a5a[2021-10-01] update mechanism from gri30 to ohmech in Fortran examples
- #1077 Gas transport polynomial fits in Python
77d50c6[2021-09-30] Changes to satisfy 88 character limit235e074[2021-09-30] Added missing docstring for CKMode() in TransportBase.h0c51270[2021-09-25] Formatting changes related to new gas transport properties functions16eacc9[2021-09-17] Removed unused variable m_om22 and renamed m_star_poly_uses_actualTb55935d[2021-09-17] Improvements in implementation of Python interface for access and mod…861d7b4[2021-08-09] Small changes in test functions13bb769[2021-08-09] Added some tests for the python access/modify functions of transport …50e592d[2021-07-11] Various changes that allow getting and modifying the gas transport pr…
- #1105 [SCons] Fix a few more missing imports
- #1106 Update setEnergy.m
bf49b66[2021-09-30] Update setEnergy.m
- #1103 Fix some 1D solver errors
- #1102 [SCons] Fix stage directory from appearing in setup_cantera
29587ee[2021-09-17] [SCons] Improve staged installations of Python module
- #1088 Small fixes and improvements / sparse coefficient matrices
c4d6ecc[2021-09-17] [Kinetics] Improve nomenclature for final step of Kinetics setup05c7e7e[2021-09-16] [Kinetics] Ensure member variables are reset when calling Plog::setRates30bc6cd[2021-09-16] [Kinetics] Partially roll back changes to Chebyshev6e37e93[2021-09-16] Update formatting38d0b62[2021-09-14] [Python] Switch sparse matrix output to CSC (from COO) formata5ad534[2021-09-14] [Kinetics] Use compressed sparse matrix format1d2fb9f[2021-09-05] [Kinetics] Access Chebyshev coefficients as 'data'e048cc8[2021-09-05] [Kinetics] Standardize Plog rates access160eaf5[2021-08-24] [Unittest] Add test for sparse matrix output4e3aa5b[2021-08-23] [Python] Make sparse API more efficient and deprecate *stoich methods8915842[2021-09-04] [Unittest] Update Chebyshev testsa4873e1[2021-09-04] [Kinetics] Streamline Chebyshev interface618ab3d[2021-08-27] [Unittest] Skip some tests if h5py is not installede068302[2021-08-24] [GH] Add scipy to coverage tests2cc52e6[2021-08-23] [Python] Create sparse stoichCoeff API1458440[2021-08-23] [Python] Enable optional scipy.sparse output6af8881[2021-08-23] [Kinetics] Use sparse stoichcoeff matrices for internal calculations0a40fea[2021-08-23] [Kinetics] Merge irreversible and reversible product StoichManagerNbb634fd[2021-08-23] [Kinetics] Implement mechanism for Kinetics::finalizeSetup1d741a0[2021-08-23] [Kinetics] Add sparse stoichiometric coefficients in StoichManager.hfd5af70[2021-08-22] [Kinetics] Remove unused functions from internal StoichManager.h classes187cfe5[2021-08-20] [Kinetics] Update ChebyshevRate interfacefa86de5[2021-08-02] [Numerics] Update eigen_dense.h and introduce eigen_sparse.h594b5b9[2021-08-20] [Unittests] Resolve unused variable warning in test-surfSolver2aedf63d[2021-08-20] [Thermo] Fix compilation warning in MixtureFugacityTP.cpp062beaf[2021-08-17] Allow for custom NotImplementedError messagesd833018[2021-08-04] [UnitTest] Fix true_divide RuntimeWarning in test_kinetics.py086dfce[2021-08-20] [SCons] Update docstring
- #1100 Fix tests when not building the Python package + other minor fixes
37599a7[2021-09-16] Deprecate unused exception classesea993e8[2021-09-16] Bump version to 2.6.0a3c2709d0[2021-09-16] [SCons] Fix installation of Python package into stage directoryde24a3d[2021-09-16] Fix missing "override" specifier on MultiBulkRate::resizeSpeciesb3f1a73[2021-09-16] [Test] Skip conversion tests if no Python package is being built9d5c9d4[2021-09-16] [Test] Update TransportFromScratch to stop using CTI/XML
- #1087 Fix pressure dependence in IdealSolidSolnPhase::getPartialMolarEnthalpies
- #1076 Expose C++ Units to Python
8266605[2021-09-15] Simplify implementation of UnitSystem::defaults783f0a0[2021-09-10] [Units] Improve docstringsb55edca[2021-09-10] [Units] Update checks for unity conversion factor77b6bcb[2021-09-05] [YamlWriter] Set UnitSystem directly with YamlWriter::setUnitSysteme5f5a0e[2021-09-05] [Python] Shorten UnitSystem.repr6a7e43d[2021-09-03] [Python] Disable Units constructors with non-unity conversion factors6e446df[2021-07-18] [Unittest] Add tests for UnitSystem.defaultsa0f391b[2021-07-17] [Unittest] Add unit test for Units::str output022988f[2021-09-03] [Units] Implement shortened Units::unit_str without factor2583a8c[2021-07-26] [Units] Simplify Units::str()61e5678[2021-07-26] [Units] Set YamlWriter UnitSystem directly72a131c[2021-07-18] [Python] Create API for UnitSystem6a15e00[2021-07-19] [Units] Fix activation energy units in UnitSystem::defaultsaf5bd29[2021-07-19] [Units] Expose Units::factor to Pythonb6d207a[2021-07-18] [Units] Implement UnitSystem::defaults()fc64bd3[2021-07-18] [Units] Prevent invalid temperature and current scalesd584d97[2021-07-18] [Units] Only display units in Units::stre1bce6f[2021-07-18] [Units] Enable detection of factor when constructing from string98acb03[2021-07-18] [Python] Implement Python API for Units classfdb9600[2021-07-18] [Units] Ensure factor is not rounded in Units::stre6750ef[2021-07-17] [Python] Expose rate coefficient and standard concentration unitsac02804[2021-07-17] [Units] Shorten Units::str output
- #1090 add Tsang closed-form falloff
cf085e4[2021-08-30] add Tsang closed-form falloff
- #1086 Update composite.py
703fd1d[2021-08-19] Update composite.py
- #1084 Make rate constant calculation consistent with Kee, et al.
e77148b[2021-08-18] Improve docstrings and warning for use_legacy_rate_constants1a876a8[2021-08-16] [Unittest] Test enabling/disabling of use_legacy_rate_constants755d841[2021-08-15] [SCons] Set preference for use_legacy_rate_constants at compile timecb2fde0[2021-08-14] [MATLAB] Implement switch for useLegacyRateConstants02fa6ab[2021-08-14] [clib] Add support for use_legacy_rate_constants681c594[2021-08-14] [Unittest] Do not use legacy rate constant definition for test suite8bcdf99[2021-08-14] [Kinetics] Deprecate third-bodies in rate constant calculation0a7723c[2021-08-14] Implement global flag for use_legacy_rate_constants
- #1061 Reaction rate factories
ec67ed1[2021-08-17] [Kinetics] Remove redundant return statements9752cf4[2021-08-12] [Python] Update ReactionRate repr outputb559804[2021-08-12] [Kinetics] Remove unnecessary specializations for getParameters9462394[2021-08-12] [Kinetics] Use same nomenclature for Reaction and ReactionRate types4a9f2c1[2021-08-12] [Kinetics] Remove standalone sentinel and calls to default constructor9165cce[2021-07-22] [Kinetics] Enforce correct units for pre-exponential factor61d5b2f[2021-07-17] [Kinetics] Ensure that reaction rate units are updatedfbeb589[2021-07-17] [Kinetics] Remove kinetics argument from newReactionRate instantiationc3da03c[2021-07-15] [Kinetics] Make reaction.pyx more consistent/readablec4dd817[2021-07-15] [Kinetics] Deprecate Reaction.fromYamlf027d6c[2021-07-15] [Kinetics] Rename RateFactory to ReactionRateFactoryb625d20[2021-07-15] [Kinetics] Address formatting comments75bfb65[2021-06-16] [Kinetics] Enforce reaction rate types9de4673[2021-06-15] [Kinetics] Use RateFactory creation for ReactionRate in Pythonbea247f[2021-06-15] [Kinetics] Add type information to ReactionRate serializationd50a15e[2021-06-15] [Kinetics] Ensure that ReactionRate type matches reaction specifications304be81[2021-06-15] [Kinetics] Switch rate constructors to factoriescac93e2[2021-06-15] [Kinetics] Implement newRate factory constructor9664b07[2021-06-14] [Kinetics] Implement ReactionRateBase::newMultiRate
- #1074 Fix csv import
- #1069 Bug fix: CK_Multi recognized as multicomponent transport method in fl…
78f893f[2021-07-11] Bug fix: CK_Multi recognized as multicomponent transport method in fl…
- #1047 Implementation of Peng-Robinson EoS (Revised)
79ea42d[2021-07-21] Adding the name in the Authors listcff20f3[2021-07-20] Some formatting changes, also added a reference for the acentric factorab42372[2021-06-28] Removing incorrect partialCp calculation (Currently, throws4847b47[2021-06-28] Fixing an error in the partialMolarEnthalpies() function. Previously,…030112b[2021-06-07] Cleaning up redundant lines/variables, also renamed 'den' to 'denom' toc3104a6[2021-06-06] Simplifying d(aAlpha)/dT equation9dcbe0f[2021-05-28] Simplifying the partial molar entropy calculation. The partial8a00f2f[2021-05-27] Fixing PengRobinson_CO2 test with correct values45bc471[2021-04-28] Fixing error in d2aAlphadT2() functionbf55e46[2021-04-27] Adding an error condition in 'getCoeff' function when the given speciesdf39649[2021-04-27] Fixing error in tests 'activityCoeffs' and 'chempotentials_RT'ff188ee[2021-04-20] Add tests for Peng-Robinson species lookup712765b[2021-04-20] Pick more challenging conditions for P-R tests274d50b[2021-04-20] Add Peng-Robinson test for partial molar cp85b4c87[2021-04-20] Make Peng-Robinson cp validation test more robustdd5f85a[2021-04-20] Add P-R tests for partial molar properties99ebc1f[2021-04-14] Renaming YAML field w_ac to acentric-factor4346660[2021-04-20] [Thermo] Fix argument passed to MixtureFugacityTP::solveCubica827653[2021-04-20] [Doc] Remove incorrect description from PengRobinson::setBinaryCoeffsc9c98b9[2021-04-16] Fixing an error in 'setBinaryCoeffs()'73602fd[2021-04-15] Adding a function to calculate partial molar specific heats4e956e5[2021-04-15] Modifying the cubic solver test7b7d4a0[2021-04-15] Adding a test to validate P-R EoS with CoopProp4cd7bc0[2021-04-14] Modifying 'getPressure' test to cover a wider range of temperatures6370017[2021-03-26] Fixing indentations and removing redundant statementsca83ea1[2021-03-26] Removing the unused function 'pressureCalc()'90e015d[2021-03-26] Renaming _curr vector variablesc75bfcf[2021-03-23] Merging 'calculateAlpha' function in 'setSpeciesCoeffs'.678b8de[2021-03-23] Declaring omega_a, omega_b values as privatef82407c[2021-03-23] Adding documentation for certain functionse8db7fa[2021-03-21] Cleaning up some more indentations errors, typos and comments91fd744[2021-03-21] Cleaning up whitespaces and some comments3228036[2021-03-21] Wrapping up some error messages to keep the line length below 80113e207[2021-03-21] Cleaning up whitespaces, typos and redundant variablesc8023d2[2021-03-20] Updating PengRobinson test from thermoFromYaml.cppdc8f4b7[2020-11-23] Removing redundant _updateStateThermo() call from thermodynamica4a23d8[2020-10-29] Reading w_ac (acentric factor) with a more useful message that wille66a2be[2020-10-29] Adding missing P-R coefficients for CO2 in co2_PR_example.yaml filebb4b99e[2020-10-29] Defined m_a_vec_curr as the array2D type to simplify index calculations3ad86c5[2020-10-28] Cleaning up functions to calculate critical properties in Redlich-Kwo…7f8c518[2020-10-28] Implementation of partial internal energies25998bc[2020-10-05] Moved 'calculateAlpha' inside the 'setSpeciesCoeff' function1aac5e1[2020-10-05] Changed the function name 'pressureDerivatives' toabeda91[2020-06-23] Modifying the explaination for solveCubic function to be more clear andfcd1562[2020-06-16] Modified Peng-Robinson to test file to read phase from313bf53[2020-06-15] Modifying comments and correcting typosd0a1d83[2020-06-06] Update documentation of PengRobinson/MixtureFugacityTP71b07f8[2020-04-09] Removing a_coeff_vec to avoid duplication and using m_a_vec_Curr inst…7d78cbd[2020-04-08] Redefined species specific internal functions as protected instead of…ac2ca10[2020-04-08] Removed redundant calculations using a 2D array aAlpha_coeff_vecba0382e[2020-04-08] Cleaning up the redundant code, correcting indentations and tabs578738f[2020-04-08] Removing dependancy of EoS specific omega_a, omega_b parameters from …edd662f[2020-02-04] Rename Nichols cubic solve methods as 'solveCubic'70008c3[2020-02-04] Cleaning up thermo/PengRobinsone631f14[2020-01-31] Fixing indexing error in PengRobinson:d2aAlpha_dT2514f4ce[2020-01-27] Adding following tests to PengRobinson_Test.cpp to verify that90b042c[2020-01-22] Changing 'bad' to 'poorly' in MixtureFugacity TP error message114d666[2021-04-19] Make Peng-Robinson constructible by ThermoFactory33684a5[2020-01-21] Adding cubic solver testd61bc3b[2020-01-17] Testing critical property lookup for PengRobinson.ecf76bf[2020-01-16] Remove unnecessary overrides in MixtureFugacityTP and children5362264[2020-01-16] Adding ThermoFromYAML:PengRobinson_CO2 test5c57e98[2020-01-16] Fixing location of critProperties.xml referenced in thermo/PengRobins…8f685a2[2019-12-30] Abstracting cubic solver to MixtureFugacityTP thermo class.e1c3714[2019-12-21] Abstracting thermo calcs from PengRobinson and RedlichKwong up to Mix…b03b741[2019-05-16] Implementation of Peng-Robinson equation of state
- #1037 SolutionArray/ flamebase importers allow unnormalized and/or negative mass/mole fractions
1420a4c[2021-06-15] set normalize default argument8e68471[2021-06-02] [One_dim] add normalize to flamebase to solutionArray importer452a26f[2021-05-28] [SolutionArray] Establish an append rules for SolutionArray31c8eef[2021-05-28] [Test] include append with state in test_compositea0cc32c[2021-05-28] [SolutionArray] Ensure consistent default values for importers9d3415d[2021-05-26] [Test] include vapor fraction check in test_composite09becb2[2021-05-22] update some docstringsdef6f3e[2021-05-18] remove no_norm properties7ed35b2[2021-05-12] update authors' list9c7f2f1[2021-05-12] rename non-normalized unit test methods9384aa8[2021-05-11] Add unittests for solutionArray importers non-normalized dataff51ead[2021-05-10] update SolutionArray documentationd962e0c[2021-05-10] pass code testing42ba87c[2021-05-05] resolve SolutionArray truncation of negative values
- #1066 Fix extinction temperature definition in diffusion_flame_extinction.py
7d2e0e4[2021-06-30] Fix extinction temperature definition in Python example
- #1060 Support legacy ruamel.yaml loaders
- #1063 Individual Reactor Initialization - Segmentation Fault Fix.
44f54d2[2021-06-26] Adjusted the test tolerance and completed suggested formatting changes1204500[2021-06-25] This commit applies a suggested simplification to the test.367e3a3[2021-06-21] Remove t0 from updateConnected function call0b6f236[2021-06-20] Using vector as a fix for CI instead of raw double pointerdf0d5ac[2021-06-19] Makes requested formatting changes and fixes CI.b77781d[2021-06-18] This commit makes requested changes to the reactor initialization test.b920d62[2021-06-17] Adding a test for single reactor initialize fix.1c75178[2021-06-16] Fixing segfault caused by initialization of single reactor
- #1065 fixed issue 992
fceb7cd[2021-06-22] fixed issue 992
- #1062 Migrate "test_problems" tests to use YAML input files
e0b3823[2021-06-16] [Test] Replace XML with YAML input for additional test_problems tests28fe892[2021-06-16] [Test] Remove silane_equil test2e9e7e0[2021-05-16] [Test] Remove unnecessary 'surfkin' test5975591[2021-05-16] [Test] Use YAML input for IdealMolalSoln testa72f643[2021-05-16] [ctml2yaml] Add missing phase name aliasescc07faf[2021-05-16] [Test] Use YAML input for ideal solid solution tests64bc227[2021-05-16] [Test] Use YAML in LatticeSolid equilibrium test41de018[2021-05-16] [Test] Use YAML input in stoichSolidKinetics test582662f[2021-05-16] [ctml2yaml] Treat missing reaction array as empty2deb981[2021-05-15] [Test] Use YAML input for HMWSoln tests0ae655d[2021-05-15] [ctml2yaml] Fix conversion of HMW phase with implicit TempModel1a63c87[2021-05-15] [Test] Update DH_graph tests to use YAML inputs8e07738[2021-05-15] [Test] Re-enable CpJump test and convert to YAMLb1ceccd[2021-05-15] [Test] Update runDiamond test to use YAMLc465daa[2021-05-15] [Kinetics] Make phase list argument to newKinetics const8086dd2[2021-05-15] [Test] Replace CTI file used in ChemEquil_ionizedGas test9f21d9b[2021-05-15] [Input] Fix conversion of CTI files with no reactions6cd6a34[2021-05-15] [Test] Remove unused cases from surfSolver testsb666216[2021-05-13] [Test] Replace CTI with YAML in surfSolverTestb896926[2021-05-13] [Kinetics] Fix checking phase dimension in newReaction74e7b86[2021-05-12] [Kinetics] Improve error messages related to sticking reactions
- #1057 Make Fortran compiler and options consistent
9de22e8[2021-06-14] [SCons] Make Fortran compiler and options consistent
- #1034 Update default pytest output
3dc940d[2021-06-14] Show detailed testing info on GH Actions892618f[2021-06-09] [SCons] Do not show logging WARNINGS unless verbose_tests=yescdc57b0[2021-06-09] [SCons] Add verbose_tests flag548b2f1[2021-05-10] [CI] Hide longest test durations by default91368c0[2021-05-10] [CI] Run pytest with verbose output
- #1052 [SCons] Fix type reference and missing import
9f2e5c7[2021-06-09] [SCons] Fix type reference and missing import
- #995 Refactor reaction rate evaluators
4945645[2021-06-06] [Kinetics] Introduce Reaction.from_dict in Pythone1256ea[2021-06-06] [Kinetics] Make rate constructor keyword consistent452437b[2021-06-06] [Kinetics] Remove transitional Reaction3 object3e6a7c2[2021-06-06] [Kinetics] Streamline code based on review comments60238ab[2021-06-02] [Kinetics] Simplify handling of legacy methods in Python reactions3fa9d9c[2021-06-02] [Kinetics] Make remaining Python reactions agnostic of frameworkdbe62ba[2021-06-02] [Kinetics] Make Python ChebyshevReaction agnostic of framework1add0f7[2021-06-02] [Kinetics] Make Python PlogReaction agnostic of frameworkb257896[2021-06-02] [Kinetics] Introduce Python Reaction.uses_legacy flag1f89bec[2021-06-02] [Kinetics] Always reference underlying C++ type in Python reaction typed1e283c[2021-05-31] [Kinetics] Prepare ReactionData for holding species information8a4c3b4[2021-05-26] [Kinetics] Clarify Reaction3 docstring5589e66[2021-05-18] [Kinetics] Allow setting of ElementaryReaction.rate using legacy Arrh…f024fb0[2021-05-18] [Kinetics] Use numbered *Reaction2 labels for old Python framework442b94f[2021-05-18] [Kinetics] Implement *Reaction2 in conjunction with C++ preprocessor78ee991[2021-05-17] [Kinetics] Use suffix -legacy rather than -old for reaction type namescd7fc81[2021-05-17] [Tests] Simplify test_reaction.pydd8ac41[2021-05-17] [Kinetics] Fix Python docstringseeb9da7[2021-05-17] [Kinetics] Remove non-void ReactionData constructors & simplify codeca43d6b[2021-05-13] Update definition for NaN3eeafe5[2021-05-10] [Tests] Remove deprecation warnings and update unit testsac7c164[2021-05-13] [Kinetics] Update serialization of unconfigured reaction rates75ad275[2021-05-13] [Kinetics] Non-configured reaction rates return SNAN0a90ba8[2021-05-13] [Kinetics] Add Reaction3::undeclaredThirdBodies112f688[2021-05-13] [Kinetics] Save input node within ReactionRate.hea9f294[2021-05-08] [Tests] Add tests for deprecated reaction properties90ab9b5[2021-05-10] [Kinetics] Fix logic for modifyReaction exception699aca3[2021-05-09] [Kinetics] Update Plog3 instantiation16c76a0[2021-05-08] [Kinetics] Add transitional deprecated Reaction3 properties791660a[2021-05-08] [Kinetics] Revert to dynamic_cast in MultiRate.h7caca5e[2021-04-27] [CI] Fix kineticsFromScratch31b921ff[2021-04-27] [CI] Add checks for serialization of new ReactionRate objectsa017d3e[2021-04-27] [Kinetics] Create ReactionRate objects from Python input_data56b7f48[2021-04-27] [Kinetics] Complete serialization of ReactionRate6f746cc[2021-04-27] [Kinetics] Tweak performance of MultiRatec95be9a[2021-04-27] [Kinetics] Update docstrings67ee888[2021-04-27] [Kinetics] Streamline setParameters6a9abe5[2021-04-27] [Kinetics] Organize new code sections124cf82[2021-03-25] [CI] Add unit tests for Python ReactionRate objectsfdfa715[2021-03-25] [Kinetics] Update documentation for Reaction3 classes058cde3[2021-03-25] [Kinetics] Remove unused and mark deprecated Python methods2722fa2[2021-03-25] [Kinetics] Construct ArrheniusRate from Arrhenius62eb45b[2021-03-24] [Kinetics] Deprecate ChebyshevRate in favor of Chebyshevf22e44b[2021-04-26] [Kinetics] Implement getParameters for ChebyshevReaction3fd05783[2021-03-24] [Kinetics] Make ChebyshevReaction3 default for YAML import11191df[2021-03-24] [Kinetics] Expose ChebyshevReaction3 to Python34ce91e[2021-03-24] [Kinetics] Implement ChebyshevReaction331c51c2[2021-03-24] [Kinetics] Implement ChebyshevRate3 wrapper for ChebyshevRate21fac8a[2021-03-24] [CI] Update unit tests3edce4e[2021-03-24] [Kinetics] Simplify setParameters7400258[2021-03-23] [Kinetics] Simplify validation checks5bc1b96[2021-03-23] [Kinetics] Introduce ReactionRate::validatecb53cca[2021-03-23] [Kinetics] Make PlogReaction3 default for YAML importd8cb2bb[2021-03-23] [Kinetics] Expose PlogRate and PlogReaction3 to Python54b1b1a[2021-03-23] [Kinetics] Streamline MultiRate update mechanism0714862[2021-03-23] [Kinetics] Implement PlogReaction3d7712ec[2021-03-23] [Kinetics] Implement PlogRatec4be7d4[2021-03-22] [samples] Add XML benchmark to custom_reaction.pyb48cc69[2021-03-22] [Kinetics] Switch ArrheniusRate to customary activation energy units0313675[2021-03-22] [Kinetics] Add init to PlogReaction and ChebyshevReactionfa71be2[2021-03-22] [CI] Switch test_reaction.py to kineticsfromscratch.yamlcb80911[2021-03-22] [Kinetics] Prepare for unified handling of third-body concentrations2e79236[2021-03-22] [CI] Add unit tests for conversion from YAMLca4b7ce[2021-03-22] [Kinetics] Simplify Python constructorsaed16b4[2021-03-21] [Kinetics] Switch ThreeBodyReaction to ThreeBodyReaction3a27a273[2021-03-21] [CI] Add unit tests for ThreeBodyReaction366337bb[2021-03-21] [Kinetics] Update cython interface1a95c42[2021-03-21] [Kinetics] Implement ThirdBody handling for ThreeBodyReaction3bfd4c51[2021-04-25] [Kinetics] Add getParameters to ThreeBodyReaction367365d9[2021-03-21] [Kinetics] Expose ThreeBodyReaction3 to Python379ae50[2021-03-21] [Kinetics] Create ThreeBodyReaction3a840e9c[2021-04-25] [Kinetics] Add setParameters to ElementaryReaction38a2a61b[2021-03-21] [Kinetics] Fix shadowed member variable65de298[2021-03-20] [Kinetics] Rename Reaction2 to Reaction3 to reflect Cantera versiond1221a8[2021-03-20] [CI] Accommodate new names in conversion testsd7cc6a5[2021-03-20] [CI] Update Python tests52ed8f6[2021-03-20] [Kinetics] Expose ElementaryReaction2 to Pythone2cf0a2[2021-03-19] [CI] Create test/kinetics/kineticsFromScratch2.cpp912f799[2021-03-20] [Kinetics] Ensure integration workse14396d[2021-03-20] [Kinetics] Return boolean from Reaction2::setParameters334eb3f[2021-03-20] [Kinetics] Separate ReactionFactory for AnyMap and XML1104d56[2021-03-20] [Kinetics] Implement Reaction constructors for AnyMap9c366d0[2021-03-19] [Kinetics] Create ElementaryReaction2 class1d3ddfa[2021-03-19] [Kinetics] Remove 'experimental' warnings for new classes
- #1056 Update apt repositories before installing dependencies
37e37a1[2021-06-11] [CI] Update apt repositories before installing dependencies
- #1049 Replace deprecated yaml.safe_load / simplify paths
e60f513[2021-06-02] [ck2yaml] Replace deprecated round_trip_load47eb64d[2021-06-02] [Tests] Update formattingab9599b[2021-06-02] [Tests] Remove unused imports in Python testsc3d0f0b[2021-06-02] [Python] Simplify Path conversion logic94d5b0e[2021-06-02] [Tests] Replace joinpath by operator '/'57ae371[2021-06-02] [Tests] Simplify code per review commentsd8a28d8[2021-06-01] [Tests] Simplify access to work and data folders5f87448[2021-06-01] [Tests] Transition some tests to pathlib9e437e0[2021-06-01] [Python] Support pathlib Path for Solution and add_directorydacd3e4[2021-05-31] [CI] Replace deprecated yaml.safe_load
- #1031 Enable modification of user input data fields in Python
38bbc66[2021-05-09] [Python] Enable modification of user input data fields
- #1045 Update Python guidance in CONTRIBUTING
01bf417[2021-05-21] Update Python guidance in CONTRIBUTING
- #1043 Make test_mass_flow_controller more robust
- #817 Added access functions to polynomial fits of gas transport properties
627e21e[2021-05-13] Replaced gri30.yaml by h2o2.yaml, and reduced the number of MixTransp…8d6468c[2021-05-11] Added links to fitProperties and fitDiffCoeffseb7b4ff[2021-05-11] Improved code style68b282b[2021-05-02] Resolve windows test failures6b2403d[2021-04-29] small change in tests for transport polynomials5489843[2021-04-25] Improved implementation1729bb0[2020-03-23] Added tests for access functions to gas transport polynomial fitsf99cf3a[2020-03-06] Added const access functions to the polynomial fits of viscosity, con…
- #1036 Update code of conduct to version 2.0
be6e971[2021-05-10] Update code of conduct to version 2.0
- #1032 Update instructions in PR template
b107d13[2021-05-10] Update instructions in PR template
- #1027 Update detection of skipped/undeclared species
5540000[2021-05-10] Update formattingd91cceb[2021-05-09] [Test] Switch ion flame tests to ch4_ion.yaml7475d8f[2021-05-08] [Test] Augment test for undeclared third bodiesb38d892[2021-05-09] [Kinetics] Refine logic for skipped reactionsb7a213d[2021-05-08] [Kinetics] Ensure that reaction balance is always checkeda546db0[2021-05-08] [Kinetics] Move checks of reactions from Kinetics to Reactiond5acbea[2021-04-29] Make divider lines for error messages 80 characters156450c[2021-04-29] [Test] add unit tests for detection of undeclared species0f2022a[2021-04-29] [Kinetics] update detection of undeclared species
- #1025 Speed up CI tests
19f1593[2021-05-09] [Test] Add ability to skip slow GTest testsd1d7aa1[2021-05-01] [Python] Fix compilation with Cython 3.0a68058349[2021-05-01] [Test] Replace XML with YAML for ReactionToYaml tests74044b2[2021-05-01] [Test] Remove dead code from ThermoPhase_Test.cppc73eb89[2021-05-01] [Test] Replace XML with YAML in more gtest tests1c2430f[2021-05-01] [Base] Deprecate rarely-used file output functions59be938[2021-04-30] [Kinetics] Fix serialization of Blowers-Masel ratesea7a814[2021-04-30] [Test] Remove redundant IonsFromNeutral testde9a281[2021-04-30] [Test] Migrate ThermoYamlRoundTrip tests from XML to YAML875a1de[2021-04-30] [Test] Convert gasNASA9.xml to YAMLc6cda83[2021-04-30] [Test] Replace CTI with YAML in RedlichKwong test8fa20c3[2021-04-30] [Test] Replace XML with YAML in MaskellSolidSolnPhase testscc47098[2021-04-30] [Thermo] Check for required inputs of Maskell thermo model903b456[2021-04-30] Rename "isEmpty" to "empty"2b3927c[2021-04-30] [ctml2yaml] Handle trailing commas in listseb31985[2021-04-30] [Test] Replace some uses of frac.cti and ptcombust.cti93dc119[2021-04-29] [Test] Replace simplephases.cti with YAMLf78f796[2021-04-29] [Test] Replace CTI with YAML for BinarySolutionTabulatedThermo test6002358[2021-04-29] [Test] Replace kineticsfromscratch.cti and sofc-test.xml with YAML5158d9b[2021-04-29] [Input] Fix error serializing Quantity with converter functions7a4199f[2021-04-29] [Kinetics] Fix initialization of FalloffReaction0359b53[2021-04-29] [Input] Fix YAML file-based constructor for SurfPhase1317767[2021-04-27] [Test] Avoid unnecessary creation of Transport objectsc9e2d7e[2021-04-26] [Test] Allow skipping of slow test_problems tests2ffde3b[2021-04-26] [Test] Add option to skip slow (Python) tests6760f73[2021-04-26] [Test] Transition use to pdep-test.yaml5b5a4bc[2021-04-25] [Test] Replace CTI input file in duplicate reaction test40e7910[2021-04-23] [Test] Always use YAML input in reactor tests9df1f64[2021-04-23] [Test] Speed up some reactor network testsad5cad1[2021-04-23] [Test] Speed up bad transport geometry test11d05a7[2021-04-21] [Test] Speed up TestTwinFlame.test_restart
- #1030 Fix memory error when deallocating Python reaction rate wrappers
cfa96aa[2021-05-07] [Python] Fix memory error when deallocating reaction rate objects
- #1012 Simplify/Refactor buildutils.py
f27c68e[2021-05-03] Allow print_level keyword argument in logger calls26a5175[2021-04-23] Use f-string in quoted function27696fe[2021-04-19] Rename mglob function to multi_globf8d54f7[2021-04-19] Update type hinting in buildutils425aba0[2021-04-16] Update CI for Conda and Windowsbe04f1d[2021-04-15] Fix flake8 suggestionsedf5e4c[2021-04-15] Limit exported functions from buildutilsd1eacf7[2021-04-15] Refactor the loggers to a single instancef5dc022[2021-04-14] Rename and refactor get_command_output53e07ce[2021-04-13] Refactor and rename getSpawn8c4fa0f[2021-04-13] Refactor help output for our configuration2dfb3d6[2021-04-13] Use pathlib in mglob97fc050[2021-04-12] Rewrite which function to use pathlibc7a5d18[2021-04-12] Replace stripDrive with pathlib1896a05[2021-04-12] Bump SUNDIALS to 5.7 in CI98825f1[2021-04-12] Remove Python 2 build from CI87c1a3f[2021-04-12] Refactor CSV and profile tests to better use NumPy3749acc[2021-04-12] Refactor text file comparisonbca7afc[2021-04-12] Refactor regression_test function83eacc0[2021-04-12] Rename print_report and test_results to snake casefebd00c[2021-04-12] Use f strings and brace format in config.h files4bf2443[2021-04-12] Enforce Python 3.6 or higher for building1fb56b0[2021-04-06] Rename cleaning functions and add loggers
- #1014 Implement Python dict to C++ AnyMap conversion
3466422[2021-04-28] [Cython] document usage of 'long' instead of 'long int'1ab3e6a[2021-04-27] [Python] Explain some logic in get_types9447dac[2021-04-23] [Python] Add clarifications and streamline code8de5bb4[2021-04-20] [Python] Test that AnyValue held types are correctce57ed3[2021-04-20] Use alternative implementation of python_to_anyvalue84e0d49[2021-04-20] Print nicer names for more AnyValue types924c916[2021-04-19] [Python] streamline implementationae7b54f[2021-04-17] [Python] Improve error messages for conversions from Python to AnyValuee3ee42f[2021-04-17] [Python] Improve Python API for empty AnyValue/AnyMap objectsaf5cd4a[2021-04-17] [CI] Add unit tests for Python to AnyValue/AnyMap conversion2035981[2021-04-17] [Python] Convert complex Python types to C++ AnyValue2810433[2021-04-17] [Python] Convert simple Python types to AnyValue/AnyMap
- #1020 Collect build/test timing information and fix some bugs
ddb394b[2021-04-28] Delete erroneous header comment5cce93e[2021-04-27] [SCons] Add AnyMap.h to precompiled header40c4002[2021-04-27] [CI] Use all three CPUs available on macOS buildersf72bbf6[2021-04-27] [Test] Skip test_ignition_delay_sensitivity96c34db[2021-04-27] [CI] Fix environment variable for pytest-github-actions-annotate-fail…6015a46[2021-04-26] [CI] Start coverage job immediatelyfd41315[2021-04-25] [Input] Avoid over-eager conversions to double0d45b10[2021-04-23] [Test] Fix extinction test cases that weren't using the right tempera…96abea8[2021-04-21] [Python] Fix set_initial_guess for CounterflowTwinPremixedFlame4db9e2c[2021-04-25] [Test] Parse pytest results with SConseec5898[2021-04-25] [CI] Show SCons timing info8d645f2[2021-04-25] [Test] Provide test timings and other info in pytest output9fa2793[2021-04-25] [Test] Fix interaction with pytest's use of tempfile26e7aff[2021-04-25] [CI] Install pytestb2ef29b[2021-04-25] [Test] Use pytest as the test runner if it's available
- #1015 Detect unspecified thirdbody collision partners
b753dd5[2021-04-22] [Kinetics] Update serialization of three-body reactions05983e7[2021-04-22] [Kinetics] Update duplicate check for undeclared three-body reactions967ea58[2021-04-19] [CI] unit tests for detection of implicit three-body reactionsc69461c[2021-04-16] [Kinetics] Catch undetected third bodies in calculateRateCoeffUnits0fef570[2021-04-15] [CI] Update regression test references06d2830[2021-04-14] [Kinetics] Refine criteria for the detection of third body speciesb01d44d[2021-04-14] [Kinetics] Detect three-body reactions with specified collision partners
- #1022 Add reminder to follow CONTRIBUTING guide to PR template
92c11e1[2021-04-26] Add reminder to follow CONTRIBUTING guide to PR template
- #968 [Kinetics] Fix third body concentrations for non-ideal gases
7879add[2021-01-27] [Kinetics] Fix third body concentrations for non-ideal gases
- #987 Add Blowers Masel reaction to GasKinetics and InterfaceKinetics
f995e4e[2021-04-19] use assertNear to test the exact ratio of rate constantsaab8815[2021-04-14] Bump version to 2.6.0a2c6609aa[2021-04-14] [Input] Serialize BlowersMasel reactionsfb00669[2021-04-14] [Kinetics] Use calculateRateCoeffUnits for sticking coefficients1d548be[2021-04-14] [Examples/Python] Reformat docstring for Blowers-Masel examplebf4edbb[2021-04-10] Add 2 plots in the Blowers-Masel examplec6f568d[2021-04-06] Add an example about use case of Blowers-Masel code28e29f9[2021-03-30] Fix some formatting/whitespace issuesf6ff6a7[2021-03-29] add more docstrings about the Blowers-Masel classese769279[2021-03-29] Adjust the definition of the average bond energy w and the input data…31bc161[2021-03-26] add documentation about Blowers Masel in gas and interface phasesf043e06[2021-03-26] fix the the syntax error in doc strings to make it rendered correctly…e45c434[2021-03-25] delete memeber variable 'm_E'7f7ebf2[2021-03-25] make the type of surface Blowers-Masel reaction to be specified witho…cb862a0[2021-03-25] change 'BMInterfaceReaction' to 'BlowersMaselInterfaceReaction'448c281[2021-03-25] reduce the test input files and modify the tests to keep them working5513452[2021-03-04] [Test/Cython] The unit tests for Blowers Masel interface27fbf94[2021-03-04] [Kinetics/Cython] Add Blowers Masel interface reaction and62e99b2[2021-03-04] [Test/Cython] Add unit tests for Blowers Masel reaction and rate classesc5375ff[2021-03-04] [Kinetics/Cython] Add Blowers Masel reaction class in GasKinetics
- #988 Add thermal conductivity to DustyGas in python.
fe29628[2021-04-19] Add thermal conductivity to DustyGas in python. (#988)
- #984 Enable serialization of Cantera objects
81cffde[2021-04-13] [Input/Test] Improve test coverage of YAML serializationc09d26e[2021-04-13] [Input] Fix AnyMap handling of 2D string / boolean arrays9b2bad6[2021-04-12] [Input/Test] Add tests of solution properties for round-tripped phasesc88b44a[2021-04-12] [Input/Examples] Update Python examples to demonstrate YAML output65dd8e9[2021-04-12] [Python/Input] Make function names more Pythonic716e397[2021-04-12] [Input] Refactor to reduce Python manipulations of AnyMapdf262a0[2021-04-11] [Input] Use full AnyMap sorting algorithm in all cases8b8bf4b[2021-04-11] [Input] Fix key ordering when outputting to Python8f947d0[2021-04-10] [Input] Set rate_units for reactions whenever possible1465fde[2021-03-13] [Input] Serialize Redlich-Kwong binary interaction parameterse6f5195[2021-03-10] [Input/Python] Enable generation of YAML files from Python Solutions50612a0[2021-03-10] [Input] Add tests of YamlWriter for surface and edge phases32672b0[2021-03-10] [Input] Handle variable output units for all thermo/species thermo types2a8c892[2021-03-10] Eliminate redundancy in implementation of AnyValue::asb8e2591[2021-03-09] [Input] Handle variable output units for all reaction typesf6bd2c0[2021-03-08] [Input] Add option of setting units to YamlWriter685168c[2021-03-08] [Input] Add control over units of constructed AnyMap objects1a3f65d[2021-03-06] [Input] Share UnitSystems among nested AnyMaps73f779f[2021-03-06] [Input] Enable conversion of added data to units of the parent AnyMapbae272c[2021-02-03] [Input] Provide control over ordering of YAML fields1988810[2020-01-23] Make AnyMap::applyUnits idempotenta1d9767[2020-01-22] Add functions for conversion from given units into a UnitSystem0f0a020[2020-01-22] [Python] Add access to input data for Reaction objects148e3d9[2020-01-22] Add extra information to AnyValue::getMapWhere error messagesb8c04c2[2020-01-21] [Python] Add access to input data for Species objectsb01c8b4[2020-01-21] [Python] Add access to input data for Solution objects17497d0[2020-01-15] [Python] Add conversion of AnyMap to native Python typesc8b3305[2020-01-13] [Test] Add round-trip serialization tests for thermo modelscaa543b[2020-01-13] [Input] Fix serialization when species has no thermo model1d2f535[2020-01-13] [Input] Serialize phase state using native state variablesc5032d0[2020-01-13] [Input] YamlWriter can use separate Thermo/Kinetics/Transport objects77ea7b6[2020-01-13] [Input] Serialize species-specific data for DebyeHuckel modele477d3f[2020-01-12] [Input] Implement serialization of PDSS_SSVol7aeaa5a[2020-01-12] [Input] Serialize PDSS_HKFT1091ca2[2020-01-07] [Input] Serialize PDSS_ConstVol, PDSS_IdealGas, PDSS_Water335a639[2020-01-07] [Input] Serialize PDSS_IonsFromNeutral0ba57cc[2020-01-07] [Input] Enable serialization of Redlich-Kwong specieseff43d2[2020-01-07] [Input] Serialize equation-of-state data for StoichSubstanced414924[2020-01-07] [Input] Serialize equation-of-state data for LatticePhase/LatticeSoli…227c9c3[2020-01-07] [Input] Serialize equation-of-state data for IdealSolidSolnPhase0fc2dd9[2020-01-07] [Input] Add pathway for serialization of equation-of-state datafdfc384[2020-01-07] [Input] Add option to skip user-defined fields when writing to YAML282b4b2[2020-01-07] [Input] Retain input species thermo data831f4fe[2020-01-05] [Input] Preserve order of items when outputting YAML maps2bd7e05[2020-01-05] [Input] Enable optional use of flow mode for outputting YAML maps83dba4d[2019-12-16] [Input] Use stream-based YAML output method to allow formatting control6e2a38e[2019-12-13] [Input] Improve float formatting in YAML output5db4151[2021-01-30] [Input] Implement serialization of more complex phase types1f0c9c6[2019-11-25] [Input] Add transport model specification to YamlWriter output91449db[2019-11-25] [Input] Add reactions/kinetics to YamlWriter output6c90549[2019-11-24] [Input] Implement serialization of interface reactionsdd4c001[2019-11-17] [Input] Implement serialization of gas phase reactions382177c[2019-11-16] [Input] Introduce YamlWriter class for input file serializationee1e55e[2019-11-16] [Input] Make Species objects serializable, including transport data6450252[2019-11-12] [Input] Make simple ThermoPhase objects serializable72701c2[2019-11-12] [Input] Implement serialization of species thermo objects114e95b[2019-11-03] [Input] Add a basic YAML emitter for AnyMap / AnyValue
- #1011 Fix python_minimal interface to install Cantera YAML tools
b3c69ac[2021-04-09] Fix python_minimal interface to install Cantera YAML tools
- #1004 Add support for SUNDIALS 5.5-5.7 compiled with LAPACK
3d672b0[2021-04-06] [SCons/Samples] Fix finding OMP library70f3530[2021-04-03] Fix compiler warning with more recent SUNDIALS0795a06[2021-04-03] [SCons] Don't print Boost info if it isn't found388f03c[2021-04-03] [SCons] Fix LAPACK defines for SUNDIALS750c0c7[2021-04-03] Simplify header includes in BandMatrix
- #1007 Update to 88 character maximum per line
- #983 Update C++ and Fortran example docstrings
b42989f[2021-02-24] [Examples] Add license info to C++ and Fortran examples68e0cb9[2021-02-24] [Examples] Don't use doublereal typedef3c6ec70[2021-02-24] [Examples] Fix typos in LiC6 electrode example1917f0a[2021-02-24] [Examples] Remove outdated READMEs9644788[2021-02-24] [Examples] Normalize header comments in C++ and Fortran examples
- #1002 Fix documentation bug for YAML format
a4b9bb5[2021-03-27] Fix documentation bug for YAML format
- #1000 Fix missing include in ReactionData.h
- #997 [cti2yaml] fix conversion for transport='None'
908a2cc[2021-03-19] [cti2yaml] fix conversion for transport='None'
- #982 Make reactions extendable
bbb752a[2021-03-19] [Kinetics] rename Reaction2::setup to Reaction2::setParameters4809308[2021-03-19] [Kinetics] simplify Reaction.wrap46185de[2021-03-19] [Kinetics] finalize ReactionRate and corresponding data types3cd7eee[2021-03-19] [Kinetics] implement review comments69820f3[2021-03-18] [Func1] roll back blocking method callbacks4de120d[2021-03-15] [Kinetics] add intermediate class Reaction2 as base for new frameworkec804c6[2021-03-15] [Kinetics] minor updates624c3cf[2021-03-14] [Kinetics] switch to MultiRateBase framework3723c24[2021-03-14] [Kinetics] add MultiRateBase evaluator class3fc3d3b[2021-03-14] [Kinetics] implement Reaction::setup methodbdfc802[2021-03-14] [Kinetics] add XML related 'todo' comments to ReactionFactory28b41d0[2021-03-14] [Kinetics] create ArrheniusRate from AnyMap72e4ace[2021-03-13] [Kinetics] introduce reaction-rate specific shared data types3d2cb64[2021-03-13] [Kinetics] address 'simple' review comments for new reaction framework96e63e2[2021-03-07] [kinetics] add signatures for analytical derivatives to RxnRates0b45b20[2021-03-07] [Kinetics] store specialized RxnRate objects without pointersdfc4ea4[2021-03-06] [examples] switch custom_reactions.py to gri30.yaml6b62874[2021-03-07] [Kinetics] store specialized reaction rate types separately5c3e62e[2021-03-07] [Kinetics] switch from map to vector of RxnRate pointers788a030[2021-03-07] [Kinetics] mark derived RxnRate classes as 'final'9f9f883[2021-03-06] [Kinetics] create State data container for RxnRate evaluations0d1f246[2021-03-06] [Kinetics] make RxnRate thread-safeb93cfcb[2021-03-06] [Kinetics] eliminate reg_addRxn and reg_modRxn9f5e0f7[2021-03-02] [Kinetics] minor simplifications and edits5be2bf9[2021-03-02] [samples] illustrate usage of Python CustomReactionc3518aa[2021-03-02] [UnitTest] add tests for TestReaction132bbbe[2021-03-02] [Kinetics] expose TestReaction to Python interfaceda0cbf9[2021-03-01] [UnitTest] include new test in init6f7b293[2021-03-01] [Kinetics] create TestReaction for benchmarking purposes993d491[2021-03-01] [UnitTest] Create stand-alone file to test reactionsf819e3c[2021-03-01] [Func1] prevent invalid callback functions.ba53274[2021-03-01] [Kinetics] update state used for RxnRate calculations8fcd588[2021-03-01] [Kinetics] add alternative ArrheniusRateb2a65ae[2021-03-01] [Kinetics] generalize addition of RxnRate in GasKinetics5d10e47[2021-03-01] [Kinetics] enable calculation of rate constants for CustomReaction8bd866c[2021-02-28] [Kinetics] Create C++ abstract base class RxnRate22a651c[2021-02-28] [Kinetics] make CustomRate persistent withing CustomReaction0ce786a[2021-02-28] [Func1] make CxxFunc1 shareable554eb99[2021-02-28] [Kinetics] make C++ pure abstract base class2d05871[2021-02-27] [Kinetics] finalize deprecation of reaction type magic numbers478cbe8[2021-02-27] [Kinetics] deprecate functions referencing magic numbersf0868c7[2021-02-27] [Kinetics] expose reaction_type_str to Python39bb765[2021-02-27] [Kinetics] Replace remaining references to reaction_typefe29554[2021-02-27] [Kinetics] mark unused reaction type magic numbers20be280[2021-02-27] [Kinetics] add default constructor for C++ Reaction8f2d181[2021-02-27] [Kinetics] simplify naming of CustomPyRate6d8a900[2021-02-26] [Kinetics] add initial unit tests72fe02e[2021-02-27] [Kinetics] create hooks in GasKinetics3a5deca[2021-02-27] [Kinetics] replace magic numbers4ca1dc9[2021-02-27] [Kinetics] introduce boolean to mark reaction validity43bf899[2021-02-23] [Kinetics] implement setup of CustomReaction6a39afa[2021-02-23] [Kinetics] implement Python constructor for CustomReaction291f4fc[2021-02-22] [Kinetics] expose CustomReaction to Pythonadcdf2a[2021-02-22] [Kinetics] create rudimentary hooks for CustomPyReaction7403d67[2021-02-22] [Kinetics] initial draft for custom reaction rate defined in Python2dfcd59[2021-02-22] [Scons] add reference to test-help after build8fed07a[2021-02-22] [Kinetics] add missing header filesd6dd747[2021-02-21] [Kinetics] ensure correct setup routine is called for XML nodef787bdb[2020-01-27] [Reaction] replace m_synonyms by addAlias0f6c346[2019-12-28] [Kinetics] move isElectrochemicalReaction02d8c1b[2019-11-14] [Kinetics] buffer available Reaction class constructors in Cythonc305097[2019-11-11] [Kinetics] make GasKinetics extendable8be0fc7[2019-11-09] [Kinetics] simplify newReaction0e4c682[2019-11-08] [Kinetics] remove magic numbers from Python interface5174aa7[2019-11-09] [Kinetics] add setup function wrappers to ReactionFactory60fbca4[2019-11-07] [Kinetics] add Reaction::type method859e91e[2019-11-05] [Kinetics] create ReactionFactory
- #981 Fix using reactors with both surface and gas phase chemistry with YAML input
- #993 Fix bug for file output if radiative_heat_loss is enabled
3f05b1e[2021-03-16] [1D] fix file output if radiation_enabled=True
- #994 [CI]
ae7734a[2021-03-18] [CI] Manually install Boost headers on Windows
- #922 New C++ custom ODEs example
- #979 Compile speedup
d557e50[2021-02-18] [CI] Show Ubuntu version in build name44918d2[2021-02-18] [CI] Drop Python 3.5 buildsbb957cb[2021-02-18] [CI] Speed up coverage build3c52850[2021-02-18] [CI] Disable debug symbols in most builds66fda02[2021-02-18] [Thermo] Combine file-based and default constructors434f439[2021-02-18] Deprecate site density arg to EdgePhase/SurfPhase constructoredf17e7[2021-02-17] [Thermo] Deprecate m_formGC constructor arg to IdealSolidSolnPhase89818bf[2021-02-17] Remove excess includes from header filesfab5207[2021-02-17] Move parts of Array2D implementation out of header91e4afb[2021-02-17] Deprecate thermo_t typedef for class ThermoPhase4b1b2bc[2021-02-17] [Kinetics] Remove unused member variable from FalloffMgrd65c299[2021-02-17] Remove excess includes from Phase.h and ThermoPhase.hbc9a19d[2021-02-16] Consolidate VCS solver source filesbae121a[2021-02-16] [SCons] Stop using header-only version of fmt libraryccc216d[2021-02-16] [SCons] Fix cases where external libraries weren't being linked
- #980 Fix matlab compilation failure
- #977 Remove deprecated things slated for removal after Cantera 2.5
643fdea[2021-02-14] Deprecate transitional reactor methodsdaf7d4d[2021-02-14] Remove deprecated code marked for removal after Cantera 2.5aae64d9[2021-02-13] [Input] Remove deprecated input files and phase definitions9ce04ba[2021-02-13] [SCons] Remove deprecated compilation options2ef2cb0[2021-02-13] Bump version to 2.6.0a1