Cantera 2.6.0 Changelog

This list is organized by pull request and includes all changes since Cantera 2.5.1.

• #1267 Release 2.6.0
  • 9573e6b [2022-04-30] Bump version to 2.6.0
  • 265c152 [2022-04-30] Update code of conduct badge
  • 1026a8e [2022-04-30] Update README installation section
• #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
  • d7192b7 [2022-04-30] [CI] Pin some builds to SCons 3.1.2
  • 8c578d7 [2022-04-30] [SCons] Fix compatibility with SCons 3.x
• #1263 Port lithium_ion_battery.m to Python
  • 1132d40 [2022-04-30] [UnitTests] Cover exchange current density formulation
  • 790a933 [2022-04-29] [Samples] Port lithium_ion_battery.m to 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 website
  • cf31f49 [2022-04-28] Move INSTALL to INSTALL.md
  • 1f1fecc [2022-04-28] Fix outdated INSTALL instructions
  • 00aa150 [2022-04-28] Fix docstring for MultiSpeciesThermo::update_single
  • ae0d361 [2022-04-28] Fix FlameBase X, Y, and concentrations docstrings
  • 8690fc1 [2022-04-28] [doc] Add docstrings for undocumented Python methods/properties
  • a4de40a [2022-04-26] [Python/doc] Fix thermal_conductivity docstrings
  • e9e2b0a [2022-04-26] [Python/examples] Fix error from using pathlib
  • 5f38a07 [2022-04-26] [doc] Fix broken links to Python member functions
  • e357ba6 [2022-04-26] [doc] Add members from _SolutionBase to Sphinx docs
• #1256 Fix bug with electrochemical-legacy
  • d2be7fc [2022-04-29] [UnitTests] Cover CTI input for electrochemical reactions
  • 227188b [2022-04-27] 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
  • 3c9368b [2022-04-29] [UnitTests] Add test for FalloffRate.falloff_function
  • d39c71c [2022-04-29] [Kinetics] Make 3rd-body concentration argument mandatory
• #1252 ck2yaml Strip optional +M from PLOG reactions
  • a394423 [2022-04-25] [UnitTests] Test for invalid Plog with explicit 'M'
  • b55fcdc [2022-04-25] [Kinetics] Prevent explicit 'M' in Plog reactions
  • f758b0b [2022-04-25] [CK] Add optional +M to PLOG input
  • 4e02938 [2022-04-25] [ck2yaml] Strip optional +M from PLOG reactions
• #1249 Update YAML Sphinx documentation
  • ab8aee9 [2022-04-25] [Sphinx] Add link to phases documentation
  • 06107b5 [2022-04-24] [Sphinx] Make reaction rate documentation consistent
  • b093ad8 [2022-04-24] [Sphinx] Update YAML documentation for 'type' entry
  • 86e5ed9 [2022-04-24] [Sphinx] Update YAML documentation for surface reactions
  • 65ebc8f [2022-04-24] [Sphinx] Add Tsang to YAML documentation
  • fb21bd9 [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 docs
  • e1bb478 [2022-04-21] [plasma] Use a custom exception class for invalid methods
  • f97c87e [2022-04-18] [plasma] Add 'discretized' to function name
  • 02a5860 [2022-04-17] [plasma] add test_add_multiple_electron_species
  • c629988 [2022-04-17] [transport] fix electron species index initialization
  • b3aa2f0 [2022-04-17] [plasma] add key normalize and fix get set parameters
  • 22b0772 [2022-04-16] [plasma] add normalizeElectronEnergyDistribution
  • a0ec865 [2022-04-16] [thermo] Add option of using Simpson's rule for EEDF
  • 89dc414 [2022-04-05] [plasma] check for errors in electron energy levels and distribution
  • b440d16 [2022-03-24] [plasma] add ThermoYamlRoundTrip test
  • 5f133ee [2022-03-22] [plasma] use raw pointer for get/set methods
  • d69f293 [2022-03-22] [plasma] add distribution type and input file parameters
  • 1de01a3 [2022-03-22] [plasma] add key electron-energy-distribution-function
  • 8c8bc2c [2022-03-21] [plasma] use Eigen::ArrayXd for m_electronEnergyLevels
  • e46c22e [2022-03-20] [plasma] add functions to manage isotropic shape factor
  • 081b70f [2022-03-20] [plasma] use addSpecies to find electron species index
  • 6f07f0c [2022-03-15] [plasma] change name of updateIsotropicElectronEnergyDistribution
  • 41d3cb3 [2022-03-15] [plasma] abbreviation of calculation (Boltzmann constant)
  • 554605f [2022-03-09] [plasma] use Eigen::Map
  • f48c027 [2022-03-05] [plasma] Add doxygen docs and move Python functions to ThermoPhase
  • 54e3164 [2022-03-01] [plasma] move tests to test_thermo.py
  • af58927 [2022-03-01] [plasma] change electronEnergyGrid to Levels
  • 5c76008 [2022-03-01] [plasma] move plasma back to thermo.pyx
  • 6375afc [2022-03-01] [plasma] reduce line length
  • 7a09d5a [2022-02-21] [thermo] update handling of electron temperature
  • 75c1406 [2022-02-28] [plasma] move plasma back to thermo folder
  • 5c3bbce [2022-02-22] [plasma] improve documentation
  • c9dd368 [2022-02-21] [thermo] set Te = T when thermo=IdealGas
  • 83d8f96 [2022-02-19] [plasma] remove electron distrb method
  • 7b0fe4f [2022-02-15] [plasma] use LinSpaced for init grid
  • 95d4ba5 [2022-02-14] add vscode to .gitignore
  • 6e36edc [2022-02-13] [plasma] add test_mean_electron_energy
  • 41d1853 [2022-02-11] [plasma] change electron thermo model
  • ec1a73e [2022-02-11] [plasma] add _updateThermo()
  • bc63b74 [2022-02-08] [plasma] add documentation
  • f6f05fa [2022-02-07] [plasma] separate tests for isotropic-velocity and user-specified
  • 38cf0b2 [2022-02-07] [plasma] calculate mean electron energy using trapezoidal rule
  • 61899f7 [2022-02-07] [plasma] add test_set_electron_energy_distribution
  • fdc5f96 [2022-02-07] [plasma] add get/setElectronEnergyDistrb
  • 6906025 [2022-02-07] [plasma] add logic for user-specified EEDF
  • 9af6261 [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 report
  • 984123a [2022-04-20] [data] Fix temperature ranges in nasa_condensed.yaml
  • 05ed4b3 [2022-04-20] [ck2yaml] Add support for format with single intermediate temperature
  • a41522c [2022-04-20] [ck2yaml] Preserve spaces in thermo note
• #1242 Add SolutionArray :set_mixture_fraction method.
  • 08602cd [2022-04-22] [Test/Cython] Fix assert raises regex
  • e92bad5 [2022-04-22] [Cython/Test] Use array/regex testing methods
  • 15f63e5 [2022-04-22] [Cython/Test] Use array tests and regex match
  • 2d504a6 [2022-04-22] SolutionArray.set_mixture_fraction.py unit test
  • 010354b [2022-04-21] Update broadcasting comment.
  • 885c0ef [2022-04-17] Improve comments in composite.py
  • ec0f4e5 [2022-04-14] Add SolutionArray :set_mixture_fraction method.
• #1247 YAML surface phase requires kinetics model
  • 44bb6ff [2022-04-19] [UnitTests] Add tests for default surface kinetics
  • 112fa2b [2022-04-20] [Input] Require kinetics key if phase has reactions entry
  • 649837f [2022-04-19] [Input] Do not require reactions key if phase has no kinetics entry
  • ba4fa38 [2022-04-19] [Kinetics] Make default kinetics type dependent on phase dimensions
• #1243 Fix RPATH related issues
  • 67bac69 [2022-04-17] [SCons] Fix site-packages detection with Windows Anaconda
  • 287acbb [2022-04-16] [SCons] Set rpath via Cantera.mak
  • 2511421 [2022-04-16] [SCons] Set rpath on macOS shared library
• #1072 Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes
  • e7b931b [2022-04-14] Extend BinarySolutionTabulatedThermo by tabulated molar volumes
  • fda4cc0 [2022-04-13] Extend BinarySolutionTabulatedThermo by tabulated molar volumes
  • 0ea1a43 [2022-04-06] Extend BinarySolutionTabulatedThermo by tabulated molar volumes
  • c748b09 [2021-08-06] Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes
  • 7e30911 [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
  • f966864 [2022-04-10] Bump version to 2.6.0b2
  • da3985a [2022-04-10] [SCons] Prevent aggressive pip uninstallation of cantera-minimal
  • 903c184 [2022-04-10] [SCons] Fix python_prefix/prefix handling for minimal Python module
• #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 location
  • 2566df0 [2022-04-02] Add CI test for keywords in examples
  • 720df8f [2022-04-02] Add explicit list of example files with no keywords
  • 8187a86 [2022-04-02] Add ability to compare against known keywords
  • ff29637 [2022-04-02] Add keywords to Fortran examples
  • 9b8212c [2022-04-02] Add keywords to C++ examples
  • bc24b96 [2022-04-02] [Doc] Add a script for parsing example keywords
  • b84a9ce [2022-03-30] Add keywords to Matlab examples
  • ce4c043 [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 set
  • b99d510 [2022-03-30] Add a docstring to DefineDict in the sdist builder
  • 30a397a [2022-03-29] [sdist] Reduce wheel size on Linux
  • ad50605 [2022-03-29] [sdist] Fix platform-dependent sdist
  • ab6831b [2022-03-29] [SCons] Fix config options for sdist
  • 9483511 [2022-03-29] [Cython/Test] Fix tests writing to local directory
  • 56bf455 [2022-03-29] [Cython] Allow instances of Path in write_yaml
  • 957376b [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_DECL
  • d30b76a [2022-03-29] Fix errors due to setuptools 61.0
  • af4fbd2 [2022-03-27] Suppress ctml_writer deprecation warnings during build
  • 308bffd [2022-03-27] Fix MSVC warning about mismatched qualifiers
  • f0ec6bb [2022-03-27] [CI] Pin jinja2 to fix incompatibility with Sphinx<4.0
  • 61c59bd [2022-03-26] [SCons] Provide better error message when pytest is missing
  • b8a44ba [2022-03-26] [SCons] Fix RPATH linkage on macOS
  • 749d024 [2022-03-26] [SCons] Determine name of macOS wheel in advance
  • 1bed0f9 [2022-03-26] [SCons] Fix expected name of .whl file
  • cc80e5b [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 reaction
  • af9352f [2022-03-27] [Examples] Provide extended description for website
  • 6d30c59 [2022-03-27] [Doc] Clarify rationale for ArrheniusRateBase._cinit
  • 78d7b10 [2022-03-27] [Doc] Fix links in TwoTempPlasmaRate constructor
  • 05ab780 [2022-03-27] [Doc] Describe list-based format for coverage dependencies
  • f6aae83 [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 formatting
  • 3f25aca [2022-03-23] [SCons] Check for Python version prior to importing buildutils
  • 1485345 [2022-03-20] [SCons] Always throw error if minimum Python version is not met
  • 536c1cc [2022-03-20] [SCons] Require Python 3.7
  • 629014f [2022-03-20] [SCons] Use f-strings and logger messages
• #1158 Add package workflow
  • ccfe913 [2022-03-21] [SCons] Move prefix string replacement
  • 1edc701 [2022-03-21] [SCons] Avoid normpath for prefix
  • 79b1dd7 [2022-03-20] [SCons] Fix build errors on Windows
  • b954b80 [2022-03-19] [SCons] Refactor post-installation message
  • 9843727 [2022-03-19] [SCons/Cython] Fix install prefix
  • 2a69135 [2022-03-19] [SCons] Correct a type in the config options
  • a21d526 [2022-03-15] Address review comments
  • 5df5411 [2022-03-15] [CI] Switch Boost download to jfrog
  • b4b2390 [2022-03-15] [SCons] Fix RPATH for Clang
  • 92cc862 [2022-03-15] [CI] Fix errors in CI
  • 07067bd [2022-03-14] [SCons] Clean up the cleaning process
  • 65e97d8 [2022-03-14] [CI] Reset CI building to defaults
  • 61602f2 [2022-03-14] [CI] Trigger macOS package builds
  • 915255a [2022-03-14] [CI] Add Windows MSI job
  • 8460994 [2022-03-13] [SCons] Remove setup_scripts instructions
  • b1bbedd [2022-02-16] [CI] Add a step to trigger Conda builds
  • 91d065b [2022-02-13] [SCons] Correct RPATH prefix for Clang
  • f8beb85 [2022-02-12] [Test/Reactor] Relax tolerance for custom reactor
  • f8a0f87 [2022-02-12] Raise an error if the submodules aren't present
  • 66f270f [2022-02-07] Flake8/quotes stuff
  • cfc5ee6 [2022-02-07] [SCons] Python minimal uses pip to install
  • f74c422 [2022-02-06] [SCons] Change installation directory printout
  • da4f063 [2022-02-06] [SCons/Cython] Change default python_prefix value
  • 5567c71 [2022-01-18] [SCons/Cython] Use pip to build/install interface
  • 4672704 [2022-02-06] [SCons] Fix if git is not present on the system
  • 7ad2c6d [2022-01-18] [Cython] Remove bdist_win installer
  • e6448b2 [2022-01-18] [Cython] Remove unnecessary install option
  • 24ff7b5 [2022-01-18] [SCons] Configure macOS target version for Python
  • cc0d2aa [2022-01-18] [Cython/Test] Fix a test that doesn't use work dir
  • 4b8e28c [2022-01-17] [SCons/Cython] Remove Darwin prefix setting
  • c9da8ee [2021-12-14] [CI] Add a new packaging workflow
• #1225 Additional Kinetics cleanup
  • 5f35bd8 [2022-03-21] Deprecate some unused derived constants
  • a2517d0 [2022-03-21] [Kinetics] Fix use of "unconvertible" flag
  • 238d407 [2022-03-21] [Doc] Fix a bunch of Doxygen warnings
  • 9b4f4de [2022-03-21] Validate that reactions are configured when adding to Kinetics
  • 78b5c2e [2022-03-20] [Kinetics] Eliminate PlogRate::setRateParameters
  • 702a101 [2022-03-20] [Kinetics] Eliminate BulkRate template
  • 97e6f05 [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/methods
  • 7e5de46 [2022-03-20] [Kinetics] Move ChebyshevRate to its own header file
  • a7fba76 [2022-03-20] [Kinetics] Move PlogRate to its own header file
  • cb4e733 [2022-03-20] [Kinetics] Move BlowersMaselRate to its own header file
  • e2c56d7 [2022-03-20] [Kinetics] Move TwoTempPlasma to its own header file
  • df2e016 [2022-03-20] [Kinetics] Put ReactionData implementations with matching rates
  • 6e1d871 [2022-03-19] [Kinetics] Make ReactionFactory internal
• #1216 Refactor electrochemical reactions
  • 4bfd2a8 [2022-03-18] [Python] Apply review suggestions to Python API
  • 573b493 [2022-03-18] [Kinetics] Apply review suggestions
  • 5d7f3aa [2022-03-17] [Kinetics] Minor tweaks
  • 9a11d9b [2022-03-17] [Kinetics] Add missing check for modifyReaction
  • d6b7aa2 [2022-03-15] [UnitTests] Retain coverage of legacy electrochemistry implementation
  • 5627178 [2022-03-14] [UnitTests] Update/add tests related to electrochemistry
  • dbd1539 [2022-03-14] [Python] Update electrochemistry-related properties
  • 0eac260 [2022-03-14] [Kinetics] Move calculation of change of electrical potential energy
  • 10f2a04 [2022-03-14] [Thermo] Ensure ThermoPhase::setElectricPotential invalidates cache
  • 6e53fd7 [2022-03-14] [Kinetics] Add number of phases to ReactionData::resize
  • fb43787 [2022-03-14] [Kinetics] Join interface and electrochemical MultiRate evaluators
  • a35faf1 [2022-03-14] [Kinetics] Switch electrochemical reactions to new framework
  • 446d2f0 [2022-03-14] [Kinetics] Deprecate InterfaceKinetics::electrochem_beta
  • 723671f [2022-03-13] [Kinetics] Implement MultiRate::processVoltageCorrections
  • b4182ec [2022-03-13] [Kinetics] Implement rate-specific voltage correction
  • 149b2d9 [2022-03-13] [Kinetics] Separate interface and electrochemical MultiRate evaluators
  • 1d1f163 [2022-03-13] [Kinetics] Implement Reaction::checkElectrochemistry
  • 6e75592 [2022-03-13] [Kinetics] Add electrochemical parameters to CoverageBase
  • 8e44b94 [2022-03-13] [Kinetics] Remove unused magic numbers
• #1218 Fix Redlich-Kwong partial molar properties
  • 0364d89 [2022-03-14] [Thermo] Correct RedlichKwong::getPartialMolarIntEnergies
  • ee411a3 [2022-03-14] [Thermo] Remove incorrect partialMolarCp from RedlichKwong
• #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 species
  • ce56b74 [2022-03-05] [Kinetics] Refinine detection of sticking species
  • f123bbb [2022-03-06] [Kinetics] Add comments to resizeReactions
  • b84659a [2022-03-05] [UnitTest] Replace references to CTI by YAML syntax
  • 0f2327e [2022-02-11] [UnitTests] Add tests for interface rates and reactions
  • f09000b [2022-03-05] [Kinetics] Update nomenclature for interface rate objects
  • 458acc2 [2022-02-24] [Python] Fix links to base class methods and other Sphinx corrections
  • 6704645 [2022-02-23] [Sphinx] Clarify nomenclature used for coverage dependencies
  • 9d38ee9 [2022-02-14] [UnitTests] Update C++ tests for InterfaceKinetics
  • 6606da1 [2022-02-23] [Python] Adopt review suggestions in API
  • d6b180b [2022-02-23] [Kinetics] Add docstrings marking methods as experimental
  • e540e4c [2022-02-23] [Kinetics] Strip unnecessary information from Reaction serialization
  • 39590d9 [2022-02-23] [Kinetics] Avoid Arrhenius::update no-op function
  • 6a7f758 [2022-02-23] [Kinetics] Differentiate parameters detected by StickingCoverage
  • 042c086 [2022-02-23] [Kinetics] Remove access to activation temperature from API
  • 7b087b9 [2022-02-23] [Kinetics] Implement review suggestions
  • 6a344f6 [2022-02-15] [Sphinx] Update documentation
  • 19bdd25 [2022-02-11] [Python] Add InterfaceRate<> and StickRate<> to API
  • 09c9492 [2022-02-17] [Kinetics] Improve docstrings in Coverage.h
  • edfc7e1 [2022-02-16] [Kinetics] Re-introduce StickRate::validate
  • eefc857 [2022-02-16] [Kinetics] Enable alternative Arrhenius2::getParameters methods
  • 45e19fc [2022-02-15] Remove BlowersMaselInterfaceReaction2 and BMSurfaceArrhenius
  • 012046d [2022-02-15] [Kinetics] Switch StickRate<> to new framework
  • ae1f2d1 [2022-02-14] [Kinetics] Switch InterfaceRate<> to new framework
  • b658c69 [2022-02-13] [Kinetics] Add BlowersMasel interface rates
  • 2aa2eb6 [2022-02-13] Clarify role of deltaH in BlowersMasel
  • 3a9fe01 [2022-02-13] [Kinetics] Make activationEnergy et al. virtual
  • bcf7b78 [2022-02-12] [Kinetics] Enable instantiation of interface reactions
  • a0ecd7d [2022-02-11] [Kinetics] Implement StickRate<> class template
  • be7600a [2022-02-11] [Kinetics] Add StickCoverage
  • 397ee4a [2022-02-11] [Kinetics] Implement InterfaceRate<> class template
  • 6db368a [2022-02-10] [Kinetics] Implement Coverage class
  • 87da40c [2022-02-10] [Kinetics] Implement CoverageData
  • c8cf146 [2022-02-10] [Kinetics] Prepare for alternative update methods
  • 239841b [2022-02-10] [Kinetics] Consolidate Reaction::checkBalance
  • 56de171 [2022-02-10] [Kinetics] Prepare InterfaceKinetics for MultiRate objects
  • 1e2b10e [2022-02-10] [UnitTests] Update nomenclature to accommodate phases other than gas
  • 89f6eaa [2022-01-20] Rename InterfaceReaction to InterfaceReaction2
  • b991b29 [2022-01-22] [UnitTest] Add surface to kineticsfromscratch.yaml
  • 87167a4 [2022-02-15] [UnitTests] Simplify Blowers-Masel input
  • e870584 [2022-01-20] [Python] Add constructor for InterfaceReaction
  • 70fc981 [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 installation
  • 3ec703f [2022-02-21] [SCons] Add MSVC 14.3 to option documentation
  • 23a72b7 [2022-02-25] [GH] Check conda installation
  • 8c514cd [2022-02-25] [GH] Remove cache and switch to mamba for windows-2022 runner
  • 6a09d75 [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 tweaks
  • fa10fef [2022-03-05] [Python] Always raise warnings for deprecated kinetics methods
  • 8360379 [2022-02-19] [Python] Improve Reaction.repr for new framework
  • b25a934 [2022-02-20] [UnitTests] Replace deprecated methods
  • 947e8a0 [2022-02-20] [Samples] Replace deprecated method
  • ff633eb [2022-02-20] [Python] Add missing blank lines and fix indentation for Sphinx docst…
  • 9c2dc8a [2022-02-19] [Python] Mark redundant Kinetics methods as deprecated
  • 09c3769 [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 cases
  • 395dc31 [2022-02-19] [UnitTests] Replace C++ warning suppression by native Python handling
  • 484c5aa [2022-02-22] Implement review suggestions
  • 55a10b9 [2022-02-22] [Python] Remove C++ warning infrastructure
  • 58a292f [2022-02-19] [Samples] Suppress DeprecationWarning in Python example
  • 66bcae5 [2022-02-19] [Base] Add dedicated loggers for warnings
  • e615c06 [2022-02-19] [Base] Enable generic warning messages
  • 4d99107 [2022-02-19] Update Copyright information
• #1204 Fix SolutionArray extra slice
  • 3a30e3b [2022-02-21] [UnitTests] Add unit test for propagated SolutionArray 'extra'
  • 8f36633 [2022-02-21] [Python] Propagate 'extra' in SolutionArray.getitem
• #1205 Detect description in cti2yaml
  • 0dba120 [2022-02-21] [UnitTest] Add unit test for description detected by cti2yaml
  • 16ef892 [2022-02-25] [Input] Add validation to cti2yaml (in analogy to ck2yaml)
  • dfbbf8f [2022-02-21] [Samples] Move sample input file to sample/data folder
  • ec44c6e [2022-02-16] [Input] Transfer description from CTI/XML to YAML
  • 8422d23 [2022-02-21] [cti2yaml] Convert first comment to description
• #1206 Add dilution options to equivalence ratio functions
  • 70b048c [2022-02-28] [Python] Fix documentation and formatting
  • 53dcb60 [2022-02-27] [Python] Fix typos
  • e09b4e7 [2022-02-27] [Python] Further formatting fixes
  • 036a6ad [2022-02-26] [Python] Fix formatting
  • 7ff1d47 [2022-02-22] Add dilution options to equivalence ratio functions
• #1197 Simple fixes
  • 041559d [2022-02-18] [CI] Reduce timeout limits
  • e19a561 [2022-02-18] [CI] Cancel redundant jobs
  • cd3428d [2022-02-18] [SCons] Add check for standard libraries
• #1196 Miscellaneous Python documentation fixes
  • 36717bd [2022-02-16] [Doc] Consistently format Python module names using italics
  • fcfa267 [2022-02-15] Wordsmith docstring for Sim1D.collect_data
  • 5ef0e99 [2022-02-15] Clean up Python documentation
  • 0b9ed48 [2022-02-14] [Python/Doc] Fix argument formatting
  • a1300fb [2022-02-14] [Python/Doc] Fix some Sphinx-Doxygen links
  • 03d0477 [2022-02-12] [Python/Doc] Fix equation formatting
  • e1f3a90 [2022-02-10] [Python] Remove leftover of old WallSurface implementation
  • 3c16ff7 [2022-02-10] [Python] Remove outdated notes about sources of Sphinx warnings
  • 5fe8f40 [2022-02-10] [Python] Fix constructor signatures in Sphinx docs
  • e5126ed [2022-02-10] [Python] Make extended arguments to Solution keyword-only
  • b4fd056 [2022-02-10] [Python] Make constructor signatures consistent for all Reaction types
  • 6f5848c [2022-02-10] [Python] Fix typos in reaction docstrings
  • dd0d086 [2022-02-09] [Python/Doc] Update docstring for Interface class
  • d38a641 [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' layout
  • f6c0bdd [2022-02-11] [SCons] Redirect conda destination if 'stage_dir' is specified
  • a08a640 [2022-02-11] [SCons] Simplify implementation per review comments
  • 544d26f [2022-02-10] [CI] Remove extra_*_dirs option from conda installed runner
  • ff6dd22 [2022-02-08] [SCons] Change prefix default if conda is detected
• #1187 Introduce BulkRate class template
  • 5b58690 [2022-02-08] [Kinetics] Eliminate chained function calls
  • 6eb1e83 [2022-02-07] [Kinetics] Eliminate multiple inheritance
  • 91a4c39 [2022-02-07] [UnitTests] Update tests and introduce pytest features
  • b27da8b [2022-02-07] Eliminate C++ TwoTempPlasmaReaction class specialization
  • 7763579 [2022-02-06] [Kinetics] Define TwoTempPlasmaRate as BulkRate
  • 4a2546c [2022-02-06] [Kinetics] Define BlowersMaselRate as BulkRate
  • 101155d [2022-02-06] [Kinetics] Introduce BulkRate<ReactionType,DataType> template
  • dc8d9e4 [2022-02-06] [Kinetics] Re-introduce BlowersMasel class
  • 498473c [2022-02-06] Replace ArrheniusBase by Arrhenius3 as appropriate
  • db61bf9 [2022-02-06] [Kinetics] Introduce Arrhenius3
• #1180 Implement serialization of Peng-Robinson phases
  • 8c3a1b5 [2022-01-22] Fix acentric factor for O2 and N2
  • d4f0a68 [2022-01-20] Remove unused MixtureFugacityTP::presureCalc
  • 713a77c [2022-01-19] [Thermo] Write critical parameters for Redlich-Kwong species
  • 0b17b69 [2022-01-19] Make ThermoPhase::initThermoFile non-virtual
  • a516a9f [2022-01-19] [Thermo] Implement serialization of Peng-Robinson
  • 322aad7 [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 updates
  • dd11605 [2022-02-06] Fix typo in 'SConstruct'
  • ed99d74 [2022-02-05] Add ArrheniusTypeRate to Sphinx documentation
  • 2ea0a25 [2022-02-05] Various code and docstring improvements
  • ca71c29 [2022-01-30] [Kinetics] Remove remaining 'bulk' references and add todo comments
  • 7e7f51b [2022-01-30] [Kinetics] Re-introduce updateFromStruct instances
  • ac1d2b6 [2022-01-30] [Kinetics] Calculate Blowers-Masel deltaH internally
  • f9550fc [2022-01-30] Remove suffix '3' from ChebyshevRate(3)
  • 8a81af3 [2022-01-30] [Kinetics] Add deprecation messages to legacy files
  • cd9a6f5 [2022-01-30] Mark remaining legacy objects with '2' suffix
  • 3263d74 [2022-01-30] Switch PlogRate to use ArrheniusBase and limit use of 'Arrhenius'
  • be5026e [2022-01-29] [Kinetics] Isolate serialization of legacy rates
  • 2f2635d [2022-01-29] [Kinetics] Consolidate getRateParameters versions
  • 9f4d37f [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 rates
  • b294aee [2022-01-29] Remove remmants of BlowersMasel2
  • fa1bd61 [2022-01-29] [Python] Consolidate constructors and properties in reaction.pyx
  • 4c99749 [2022-01-29] [Kinetics] Add ReactionRate::setContext
  • 3787ab8 [2022-01-29] [Kinetics] Rename MultiBulkRate to MultiRate
  • 3acdfb4 [2022-01-22] [Kinetics] (Re)-implement updateFromStruct
  • 8944908 [2022-01-28] [Kinetics] Make ArrheniusBase independent from ReactionRate
  • 4d65835 [2022-01-28] [Kinetics] Fix compilation errors with 'no_legacy_reactions'=y
  • 1987498 [2022-01-28] [CI] Add runner probing 'no_legacy_reactions' option
  • 33a1b5a [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 constructor
  • 0f46911 [2022-02-04] [Python] Simplify constructor options for Reaction
  • 8e93256 [2022-02-02] [Python] Make rate a required argument for Reaction constructor
  • 934bc1d [2022-01-29] Move Reaction initialization logic out of ReactionFactory
  • e9e983c [2022-01-28] [Kinetics] Treat reactions with different rate types as non-duplicates
  • c79057a [2022-01-27] [Python] Rename Species.listFromFile to list_from_file
  • a18602b [2022-01-27] [Python] Rename Reaction.listFromFile to list_from_file
  • 7ad3c21 [2022-01-24] [Kinetics] Eliminate need for ChebyshevReaction3
  • 5285660 [2022-01-26] [Python] Fix ChebyshevRate.n_temperature and n_pressure
  • f8c3815 [2022-01-25] [Kinetics] Remove '(+M)' from Chebyshev reaction equations
  • e285c1c [2022-01-25] Add a version of warn_deprecated that shows input file location
  • bdd4af5 [2022-01-24] [Kinetics] Eliminate need for BlowersMaselReaction
  • ceb32e9 [2022-01-23] [Kinetics] Eliminate need for PlogReaction3
  • 905e3f0 [2022-01-20] [Kinetics] Eliminate need for ElementaryReaction3
• #1166 Two temperature plasma reaction
  • 9cee052 [2022-01-27] [kinetics] fix NAN issue
  • b6693a9 [2022-01-17] [kinetics] enable short expression for two temp reaction
  • 2fe58b5 [2022-01-13] [kinetics, test] make TwoTempPlasmaReaction not reversible
• #1154 FEAT: Added additional tools for Fortran calling codes
  • 80e9362 [2021-12-31] [Fortran] Updated the blessed solution for the f90_demo to include ne…
  • d529f8d [2021-12-27] [Fortran] Updated formatting to be consistent with Cantera standards
  • ecb7411 [2021-12-06] [Fortran] Wrapped additional functions and added a logger
• #1178 Reduce precision in select tests to pass on alternate architectures
  • 5e34a09 [2022-01-18] increase Chebyshev test tolerance: address failures on x86 builds
  • 8b712d3 [2022-01-18] update test with tolerance (NEAR vs EQ) to pass tests on non-x86_64
• #1169 Simplify creation of interface phases
  • b8937af [2022-01-18] Add test for detection of deprecated phase names
  • 5e32791 [2022-01-18] Improve test coverage of Interface class
  • 1a4c056 [2022-01-15] [Python] Use new adjacent phase handling in examples
  • 767cb3b [2022-01-15] Include adjacent phase info when converting mechs
  • d790e26 [2022-01-15] Update C++ tests to use new adjacent phase handling
  • 79352f6 [2022-01-15] [Test] Fix sticking coeff error test in debug mode
  • d301a67 [2022-01-13] [Python] Add adjacent phase handling to Python interface
  • f7d37c9 [2022-01-13] [Thermo] Add file-based constructor for EdgePhase
  • 9467449 [2022-01-04] [Input] Add adjacent-phases handling to YamlWriter
  • 3e06828 [2022-01-04] [Solution] Handle multiple levels of adjacent phases
  • 7785d6c [2022-01-02] Add Interface class as a specialized version of Solution
  • eff534f [2022-01-02] [Solution] Automatically instantiate adjacent phases
  • 4c82acc [2022-01-02] [Test] Remove redundant blessed output files
  • d4f5887 [2022-01-02] [Thermo] Make phaseNode argument const
  • 35739ee [2022-01-01] Fix syntax error in silane.yaml deprecation
  • ef26822 [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 cast
  • 9652ccf [2022-01-15] [Python] Add missing 's' in '_rates_dd' derivative getter names
  • 2e4fc51 [2022-01-15] [0D] Fix type-casts and formatting
  • e6aaa98 [2022-01-15] [1D] Fix type-cast from AnyMap
  • 19ddfdc [2022-01-15] [Kinetics] Properly type-cast variable to avoid compiler warnings
  • c6d3e42 [2022-01-15] [Kinetics] Ensure proper types for Eigen::Triplet indices
  • ddc806f [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 missing
  • 224cb7a [2022-01-14] [CI] Use pathlib features and update formatting
  • 36cd3ad [2022-01-14] [SCons] Remove unittest specific code
  • c31d10f [2022-01-14] [GH Actions] Add pytest to remaining runner
  • d8ddcb6 [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::restore
  • b20a25b [2022-01-14] [Kinetics] Fix nomenclature for buffered Delta G^0
  • d94f7fa [2022-01-14] [Python] Shorten derivative suffixes to ddT, ddP, ddC and ddX
  • e36939f [2022-01-13] [Kinetics] Switch to derivative getters that use raw pointers
  • fb541d4 [2022-01-13] [Kinetics] Simplify Jacobian index setup
  • aa0b23b [2022-01-13] [Kinetics] Replace references to 'Jacobian' by 'derivatives'
  • 0fed59f [2022-01-13] [Kinetics] Issue warning for temperature derivative of Blowers-Masel
  • 5f5a005 [2022-01-13] [Base] Implement ability to suppress C++ warnings (warn_user)
  • c0890fe [2022-01-13] [Kinetics] Disable derivative calculation for non-ideal phases
  • d64b2b4 [2022-01-13] [Thermo] Implement ThermoPhase::isIdeal()
  • 3cdd01a [2022-01-13] [Python] Rename use_sparse to _USE_SPARSE
  • b9e6a01 [2022-01-13] [UnitTests] Simplify docstrings in test_jacobian.py
  • 95b9dba [2022-01-13] [Kinetics] Update internal method names
  • d61de59 [2022-01-13] [Kinetics] Clarify docstrings and apply tweaks per review suggestions
  • 19580f9 [2022-01-12] [Samples] Add 'h2o2' and 'nDodecane_Reitz' to jacobian benchmark
  • da9f373 [2021-12-27] [Kinetics] Update derivative of equilibrium constant
  • 3dc801f [2021-12-27] [Kinetics] Save Delta G^0 for reactions
  • 79898f7 [2021-12-26] [Samples] Add jacobian benchmark test
  • bae0d8c [2021-12-09] [UnitTests] Add test_jacobian.py to Python test suite
  • a2f0dfe [2021-12-12] [UnitTests] Add derivative tests to test_reaction.py
  • ef6c080 [2021-12-25] Update nomenclature / switch species jacobian to mole fractions
  • 3c1f67d [2021-08-25] [Python] Create API for kinetics Jacobians
  • 23deedf [2021-12-24] [Kinetics] Streamline derivatives
  • 4521841 [2021-12-24] [Kinetics] Remove EOS dependence from jacobians
  • e56341c [2021-12-24] [Kinetics] Add molar density derivatives
  • 81b79c7 [2021-12-24] [Kinetics] Add pressure derivatives
  • 1253a9d [2021-12-24] [Kinetics] Add impact of falloff to concentration derivatives
  • 12df8ad [2021-12-22] [Kinetics] Address impact of pressure at constant volume
  • e350281 [2021-12-22] [Kinetics] Fix scaling for derivatives related to third-body colliders
  • 8e61f1a [2021-12-19] [Kinetics] Implement MultiBulkRate::processRateConstants_ddPscaled
  • 742a296 [2021-12-10] [Kinetics] Add third-body evaluation for FalloffRate evaluators
  • edbcbf4 [2021-08-25] [Kinetics] Add implementation of species Jacobians to GasKinetics
  • 3e8a911 [2021-08-25] [Kinetics] Add implementation of temperature derivatives to GasKinetics
  • b4f0ff2 [2021-12-04] [Kinetics] Implement MultiBulkRate::processRateConstants_ddTscaled
  • ef7346f [2021-12-09] [Kinetics] Implement scaling by reaction order
  • 7730298 [2021-12-16] [Kinetics] Implement temperature perturbation in ReactionData
  • 5e56cec [2021-08-24] [Kinetics] Create infrastructure for Jacobians in Kinetics.h
  • 5edb090 [2021-12-03] [Kinetics] Implement ThirdBodyCalc::jacobian
  • f3271b8 [2021-12-03] [Kinetics] Implement StoichManagerN::jacobian
• #1099 electron-temperature reaction
  • 591c28e [2022-01-12] [kinetics] change TwoTempPlasmaRate expression
  • a44bb82 [2022-01-08] [thermo] rename m_elec_temp to m_electronTemp
  • a65e0b1 [2022-01-08] [interface, test] input change names
  • 1ede6f8 [2022-01-05] change key from Ea_T and Ea_Te to Ea and EE
  • 59cbcc9 [2022-01-02] fix m_elec_temp init value
  • d5d5eaf [2021-12-14] [test] add ETempRateTest and add TestETemp
  • 0a5b5ea [2021-12-12] [kinetics] make Arrhenius easy to implement and fix ETempRate
  • 197e965 [2021-12-11] [test] add ETempFromYaml
  • 3deed32 [2021-12-05] [kinetics, interface] add ETempReaction
  • 29e4c4b [2021-12-14] [kinetics, interface] add ETempData and ETempRate
  • 111521b [2021-12-05] [thermo, interface, test] add Te
  • a136c9d [2021-12-04] [data] add ET_test.yaml
• #1162 Add support for Sundials 6.0
  • 0706ab3 [2021-12-23] Add Support for Sundials 6.0
  • 0638e86 [2021-12-22] [SCons] Fix use of '--config=force' option to scons
• #1159 Preparations for removal of CTI/XML
  • 698c51c [2022-01-05] [Doc] Note XML deprecation with all XML examples
  • a3b6eb6 [2021-12-19] [Test] Eliminate some unnecessary special cases
  • 6ccc68e [2021-12-19] Remove unused test data files
  • 2e9422b [2021-12-19] [Doc] Remove XML-centric, model-specific phase creation examples
  • 4dbe3de [2021-12-19] Update Matlab toolbox for CTI/XML deprecation
  • e67d6bd [2021-12-19] Use YAML in Python doc examples
  • 838e0c0 [2021-12-19] Deprecate array-based ThermoPhase::get/setParameters
  • 91d5e96 [2021-12-19] Deprecate some XML-related functions
  • 566edf5 [2021-12-06] Make CTI/XML deprecation warnings noisy
  • 687fad2 [2021-12-18] [Test] Eliminate incidental use of CTI/XML in other Python tests
  • 1e22388 [2021-12-18] [Test] Eliminate incidental use of CTI/XML in Python 1D tests
  • 9c75e55 [2021-12-18] [Test] Eliminate incidental use of CTI/XML in Python kinetics tests
  • c58f0d8 [2021-12-18] [Test] Eliminate incidental use of CTI/XML in Python thermo tests
  • 9b83228 [2021-12-19] [Test] Use YAML input files as reference for ck2yaml tests
  • d91f8e3 [2021-12-18] [Input] Fix ctml_writer unit handling for non-reactant orders
  • 763f0ce [2021-12-18] [ctml2yaml] Use YAML-preferred name for standard concentration model
  • 4d7c6b7 [2021-12-18] [ctml2yaml] Fix typo in species max T handling
  • e1caf85 [2021-12-18] [Test/1D] Update re-creation of reference profiles
  • 2979b02 [2021-12-18] [cti2yaml] Create empty kinetics model when one is implied
  • fd96d5e [2021-12-06] [Test] Use YAML input files as reference for ctml2yaml tests
  • b6b3175 [2021-12-06] [Test] Sync inputs for pathological species name tests
  • ff27d5a [2021-12-06] [Test] Use YAML input files as reference for cti2yaml tests
  • ed10db5 [2021-12-05] [Input] Read element standard entropies from YAML database
  • ae65ecd [2021-12-05] [Input] Add deprecation warnings for CTI/XML conversions
  • 4194a7a [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 issues
  • b55d11f [2021-12-17] Document requirements for new delegated function types
  • feb6492 [2021-12-17] [Delegator] Document return value handling for before/after delegates
  • 2a0b189 [2021-12-17] [Delegator] Document delegate mnemonics and make them consistent
  • 9070cfa [2021-12-17] [Delegator] Hold delegate references in Python instead of C++
  • 14f9678 [2021-12-16] [Delegator] Fix calling delegated functions after prior exception
  • af6a334 [2021-12-16] [Reactor] Include temperature in ReactorSurface synchronization
  • 22c3be6 [2021-12-16] [Test] Add some more extensible reactor tests
  • cacef61 [2021-12-15] [Test] Add extensible reactor test with multiple connected reactors
  • 16f7128 [2021-12-15] [Reactor] Use more intuitive variable name for species equation RHS
  • 52a90f2 [2021-12-15] [Delegator] Test raising exceptions from within delegates
  • 2077ca8 [2021-12-12] [Test] Add an ExtensibleReactor test with surfaces
  • 77cb7ea [2021-12-15] [Python/Reactor] Sync state when accessing ReactorSurface.kinetics
  • e28be26 [2021-12-14] [Python] Indicate additional methods that can throw C++ exceptions
  • 7d83883 [2021-12-14] [Delegator] Check for errors with delegate inputs/outputs
  • 24d1b09 [2021-12-14] Make demangle available outside AnyMap
  • 60cca1a [2021-12-14] Check for errors in assign_delegates
  • 752d593 [2021-12-14] [Reactor] Modify signature of evalSurfaces
  • 008dc83 [2021-12-12] [Python/Reactor] Make attached surfaces available via Reactor object
  • d344020 [2021-12-12] [Kinetics] Make "declared-species" option work for surfaces
  • e49a351 [2021-12-08] [Test] Add test of ExtensibleReactor with external heat transfer
  • 5174b85 [2021-12-08] Update delegator-related documentation
  • f46ae58 [2021-12-08] Rename DelegatedReactor to ExtensibleReactor
  • 35e42a8 [2021-12-08] [Delegator] Fix some formatting issues
  • 9ec107e [2021-12-07] Simplify delegation of functions with a return value
  • 094a48b [2021-12-07] Simplify delgators for functions that return void
  • 3130ecd [2021-12-07] Move size calculation out of delegate functions
  • b2ea6a6 [2021-12-06] Fix custom2.py to use RHS/LHS eval function
  • cc7645e [2021-12-01] Minor formatting changes
  • 960befb [2021-08-10] Created new setDelegate method for void(double, double*, double*) type
  • 7b0bf9f [2021-06-09] Added RHS and LHS user variables to Reactor class
  • c495435 [2021-03-28] [Doc] Add documentation for delegation capabilities
  • 91821ea [2021-03-27] [Python] Support multiple levels of inheritance in delegated classes
  • 9c03eae [2021-03-25] [Reactor] Add methods for restoring thermo states from delegated reac…
  • 64db7b6 [2021-03-25] [Python] Add some basic tests of delegated reactors
  • 3e74a20 [2021-03-23] [Reactor] Introduce simpler function for reactor ODE function
  • 1e6c3f2 [2021-03-23] [Reactor] Use ReactorNet to manage application of sensitivity params
  • e99749c [2021-03-22] [Python] Prefix replacement delegate methods with 'replace_'
  • cb433cb [2021-03-22] Revise behavior of "after" delegates that return a value
  • 3c77ce7 [2021-03-22] Modify delegate creator functions to return the delegate
  • c2687e4 [2021-03-20] [Reactor] Added a DelegatedReactor example with an extra equation
  • 5ef386f [2021-03-19] [Reactor] Make some member variables available to DelegatedReactor im…
  • 435ae43 [2021-03-19] [Reactor] Add delegates for remaining core Reactor functions
  • 025eb84 [2021-03-19] [Reactor] De-virtualize some generic get/set functions
  • aab7d33 [2021-03-19] [Reactor] Add ability to delegate methods with return values
  • 7d470e9 [2021-03-19] [Reactor] Generalize mechanism for registering delegated functions
  • 6be9eea [2021-03-18] [Reactor] Add ability to delegate functions that take array arguments
  • 16617b4 [2021-03-17] [Reactor] Make reference counting for delegated methods more robust
  • fb8be6b [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 output
  • 5e2ade6 [2021-12-22] [CI] Run some CI builds with unsafe math optimizations
  • a57cb46 [2021-12-22] [Test] Relax some test tolerances
  • 6f27ca4 [2021-12-22] [Test] Avoid exact float comparisons
  • 9daebd9 [2021-12-22] [SCons] Require a working implementation of std::isnan
  • afb8a5d [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 objects
  • e247c32 [2021-12-14] [Python] Prevent stand-alone Kinetics and Transport objects
  • c20df57 [2021-12-14] [Python] Ensure that ThermoPhase constructor is always called first
  • afbf45d [2021-12-14] [Python] Simplify pickle and update instantiation logic
  • 2e2bdf3 [2021-12-09] [Python] Ensure transport handler is always properly set
  • 2cf0d6b [2021-11-28] [Python] Accommodate empty Kinetics objects
  • 748a78c [2021-11-28] [Thermo] Make error messages more meaningful
  • a985aec [2021-11-28] [Python] Enable safe handling of empty Solution objects
  • 01e517c [2021-11-28] [Transport] Register base model as 'none' in TransportFactory
  • 28abb09 [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 picklable
  • 7964cf3 [2019-08-13] [Input] Implement pickle serialization for Solution objects
  • 4dc4eb5 [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 header
  • 5b2e184 [2021-12-13] [Kinetics] Improve docstrings for ReactionData update mechanism
  • 84243b4 [2021-12-12] [UnitTests] Update test suite
  • 2293304 [2021-12-12] [Kinetics] Remove unnecessary arguments from ReactionData::update
  • e58bd3d [2021-12-12] [Kinetics] Remove unnecessary service functions
  • a0b9960 [2021-12-12] [Kinetics] Ensure getThirdBodyConcentrations is up-to-date
  • 58ceb33 [2021-12-12] [Samples] Update blowers_masel.py example
  • c48bead [2021-12-12] [Kinetics] Remove unnecessary checks
  • 26165d0 [2021-12-12] [Kinetics] Update reaction index when modifying reactions
  • 78bf28a [2021-12-12] [Cython] Fix BlowersMaselRate inheritance in _cantera.pxd
  • 82d089b [2021-12-12] [Kinetics] Remove buffered deltaH from BlowersMaselRate
  • 0d13521 [2021-12-12] [Kinetics] Remove buffered third-body concentration from Falloff
  • 8fb348e [2021-12-12] [Kinetics] Implement third parameter to reaction rate evaluators
  • e745d2c [2021-12-10] [Kinetics] Simplify MultiBulkRate::update
  • 3e9edde [2021-12-10] [Kinetics] Remove calls for individual rate updates from MultiBulkRate
  • 12de1c7 [2021-12-10] [Kinetics] Remove updateFromStruct from PlogRate and ChebyshevRate3
  • 8793706 [2021-12-10] [Kinetics] Remove updateFromStruct from BlowersMaselRate and FalloffRate
  • 2dce929 [2021-12-08] [Kinetics] Make pressure accessible for all ReactionData structs
  • 36b08a2 [2021-12-06] [UnitTests] Add test for ArrheniusRate derivative
  • 1ede287 [2021-12-06] [Kinetics] Replace CustomFunc1Data by ArrheniusData
  • 1ecd1ed [2021-12-05] [Kinetics] Clarify docstrings for ReactionRate testing interface
  • 0e65df1 [2021-12-05] [Kinetics] Create base class for ReactionData
  • a426d64 [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 license
  • 60c4a81 [2021-12-11] [CI] Add a LLVM/Clang compiler job
  • 7b5663d [2021-12-10] [SCons] Disable OMP on XCode Clang
  • ac642c9 [2021-12-07] [CI] Test with SUNDIALS 5.8
  • 291359f [2021-12-07] [CI] Add names for more of the archived results
  • 024e9ed [2021-11-27] [CI] Use new Codecov uploader action
  • 787fea2 [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 classic
  • f9d6398 [2021-12-06] [CI] Add runner for new intel-oneAPI compilers
  • 6ebb009 [2021-11-03] [CI] Add mingw runner
  • 1f62dce [2021-11-27] [UnitTest] Disable cubicSolver_Test::solve_cubic for mingw
  • 98b8760 [2021-11-26] [SCons] Change icc compilation options
  • 9f7ca05 [2021-12-06] [SCons] Enable optimized icx compilation
  • 4afece9 [2021-11-25] [SCons] Prepare for 'icx' compiler
• #1152 Various documentation improvements
  • 7fc5a2d [2021-12-04] [Doc] Make reactor network docs more discoverable
  • 0ff31a7 [2021-12-04] [Doc] Fix most Doxygen warnings from VCS solver
  • 665792d [2021-12-04] [Doc] Remove config for deprecated Doxygen options
  • 47cb4bd [2021-11-28] [Doc] Fix errors indicated by various Doxygen warnings
  • 78190dd [2021-11-29] [Doc] Fix warnings about '@TODO'
  • 6e20a62 [2021-11-29] [Doc] Fix incorrect / unbalanced Doxygen group delimiters
  • 2f2f587 [2021-11-28] [Data] Deprecate silane.yaml
  • 387ffcf [2021-11-28] [Doc] Correct documentation of newThermoPhase
• #1151 Conditional rate updates for MultiRate reactions
  • 6a6034f [2021-12-04] [Kinetics] Fix cache invalidation corner cases
  • d386d85 [2021-12-04] [Kinetics] Implement conditional updates for reactions using MultiRate
• #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 serialization
  • 08d3168 [2021-11-27] [Units] Replace roundf by round
  • 02ad7be [2021-12-02] [1D] Do not impose bounds on inactive solution components
  • 0a234d8 [2021-12-01] [Sphinx] Add new ReactionRate objects to Sphinx documentation
  • 2f363e2 [2021-12-01] Address review comments
  • f086626 [2021-11-30] [Kinetics] Clarify ChebyshevRate3::getParameters
  • 6a8a1d7 [2021-11-30] [Units] Replace UnitsVector by struct UnitStack
  • c60525f [2021-11-30] [Kinetics] Ensure that chemically-activated reactions are recognized
  • 5338f0f [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 framework
  • 249912d [2021-11-29] [Kinetics] Add suffix *Rate to falloff class names
  • 0c6ea92 [2021-11-29] Simple review comments
  • 4cf606c [2021-11-17] [Kinetics] Improve documentation for ReactionRate and MultiRate
  • 357ee2b [2021-11-17] [Kinetics] Remove unnecessary ReactionRate::update methods
  • 302696b [2021-11-17] [Kinetics] Automatically determine if reactions use update method
  • 5a73d72 [2021-11-11] [Kinetics] Eliminate need to template ReactionRate types
  • fe512a0 [2021-11-12] [Test] Fix running reaction tests with optimize=n
  • 85b9fe5 [2021-10-21] [Kinetics] Rename ReactionRateBase to ReactionRate
  • 09e5a0f [2021-10-21] [Kinetics] Remove ReactionRate template
  • 7baeb51 [2021-10-21] [Kinetics] Transition CustomFunc1Rate to RateEvaluator
  • aac425b [2021-10-21] [Kinetics] Transition ChebyshevRate3 to RateEvaluator
  • ee89b4f [2021-10-21] [Kinetics] Transition PlogRate to RateEvaluator
  • c58bf1c [2021-10-19] [Kinetics] Introduce RateEvaluator<> template
  • baac947 [2021-10-18] [Unittest] Fix reaction tests with standalone rate objects
  • 5cd124a [2021-10-18] [Python] Remove Reaction3 fragments
  • c2e7129 [2021-10-17] Fix typos in docstrings and comments
  • 8b95587 [2021-10-12] Fix docs build
  • 753e051 [2021-10-12] Update/fix docstrings
  • 1dea6ae [2021-10-12] [Kinetics] Add todo note for logic update in GasKinetics::update_rates_T
  • 4143944 [2021-10-09] [Unittest] Add Falloff tests to test_reaction.py
  • d600e5e [2021-10-11] [Kinetics] Differentiate between check and validate methods
  • df11d89 [2021-10-07] [Unittest] Update Falloff google tests
  • afd2210 [2021-10-11] [Kinetics] Ensure ReactionPath.h works with legacy reactions
  • 332b8f9 [2021-10-09] [Python] Add new FalloffReaction implementation to API
  • be8373c [2021-10-11] [Kinetics] Simplify handling of third-bodies in new framework
  • e838e37 [2021-10-09] [Kinetics] Ensure Falloff reactions can be created from scratch
  • da4e56b [2021-10-07] [Kinetics] Switch falloff reactions to new framework
  • fd2d271 [2021-10-08] [Samples] Fix BlowersMasel example
  • 5ecb683 [2021-10-08] [Kinetics] Simplify reaction rate unit handling
  • db90f81 [2021-10-08] [Kinetics] Switch ReactionRateFactory to UnitsVector
  • f1af556 [2021-10-08] [Kinetics] Add alternative calculateRateCoeffUnits method
  • 483ad0f [2021-10-08] [Kinetics] Make ReactionRateFactory more flexible
  • fca041e [2021-10-08] [Units] Implement static Units::product method
  • 9e3b126 [2021-10-07] [Kinetics] Improve handling of explicitly specified collision partners
  • a8f2d60 [2021-10-06] [Kinetics] Implement initial FalloffReaction3 class
  • b73e601 [2021-10-06] [Kinetics] Remove optional (+M) terms in specialized methods
  • f9266d9 [2021-10-04] [Unittest] Add falloff reaction tests
  • 6ec59e5 [2021-10-05] [Kinetics] Prepare FalloffReaction API for legacy support
  • 1ac13f4 [2021-10-04] [Kinetics] Relabel legacy falloff reactions as FalloffReactions2
  • a81e1aa [2021-10-03] [UnitTest] Add/update unit tests for BlowersMaselReaction
  • 93518d6 [2021-10-03] [Python] Expose ArrheniusBase to API
  • 581fa7b [2021-10-03] [Kinetics] Switch Falloff hi/low rates to ArrheniusBase
  • a985725 [2021-10-03] [Kinetics] Differentiate Arrhenius/BlowersMasel versions 2 and 3
  • 9a04b4f [2021-10-03] [Kinetics] Remove transitional BlowersMasel classes
  • e4fbf40 [2021-10-03] [Kinetics] Refactor BlowersMaselReaction
  • 0ec827a [2021-09-23] [Kinetics] Ensure rate_index is set correctly
  • 6ab6901 [2021-09-18] [Unittest] Add Falloff reaction rate tests
  • de5b5ea [2021-09-23] [Kinetics] make Kinetics::getThirdBodyConcentrations const
  • 2dbf2b9 [2021-09-22] [Kinetics] Buffer rate index for MultiRate objects
  • 38fc63d [2021-09-22] [Python] Use member variable to access C++ falloff
  • 0dbf545 [2021-09-22] [Python] Use callback in ReactionRate.wrap to set cdef'd references
  • d04dc6c [2021-09-19] Fix warnings/compilation errors
  • 45ff63a [2021-09-18] [Kinetics] Implement objects derived from FalloffRate
  • ce30f05 [2021-09-18] [Unittest] Add BlowersMaselRate tests
  • 6ace811 [2021-09-18] [Kinetics] Implement BlowersMaselRate3
  • de7abec [2021-09-18] [Kinetics] Add type information to MultiRateBase
  • 66dd943 [2021-09-17] [Kinetics] Switch ArrheniusRate to Arrhenius3
  • 9f9c1ec [2021-09-17] [Kinetics] Introduce RateTemplate in ReactionRate.h
  • 597861d [2021-09-17] [Kinetics] Introduce new Arrhenius3 class
  • c4dd5ed [2021-09-17] [Kinetics] Introduce Arrhenius.h with ArrheniusBase object
  • 121593e [2021-09-17] [Unittest] Simplify test_reaction.py suite
  • 850616e [2021-09-17] [Kinetics] Small adjustments and fixes
  • 03e60a1 [2021-09-13] [Kinetics] Remove prefix 'm_' in ReactionData
  • 4f3864f [2021-09-08] [Unittest] Expand kineticsfromscratch.yaml
  • a991c5d [2021-09-17] [Kinetics] Make shared ReactionData more flexible
  • 2a1594e [2021-09-06] [Kinetics] Mark getReactionDelta as const
  • d60651f [2021-09-07] [Python] Improve error message for invalid CustomRate input
  • bfa1745 [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 function
  • 1f23494 [2021-11-26] [Transport] Remove 'NoTransport' class
  • 5a917b5 [2021-11-25] [Solution] Limit YAML header to fields preceding 'phases' entry
  • 80386db [2021-11-25] [UnitTests] Fix failing test
  • 60c735b [2021-11-25] [Python] Remove local copies of shared_ptr in _SolutionBase
  • 70a4d2b [2021-11-24] Small fixes of docstrings and nomenclature
  • 33bbf54 [2021-10-25] [CI] Switch sundials runner to pytest
  • c5d9cd2 [2021-10-25] [UnitTests] Add test for customized YamlWriter header
  • 2415356 [2021-10-24] [Samples] Explicitly specify transport model in extract_submechanism.py
  • ce5ea3e [2021-10-25] [Python] Make YAML header information customizable
  • 024c6d4 [2021-10-25] [YamlWriter] Implement custom header information
  • 8245f8a [2021-10-24] [1D] Raise warning when transport model is implicitly set
  • 13e75a3 [2021-10-24] [Python] Ensure C++ is aware of transport model changes
  • b9a0e4f [2021-10-24] [Solution] Fix logic for Solution::parameters
  • 1c6af5d [2021-10-24] [UnitTests] Add googletests for transport model defaults
  • 051d099 [2021-10-23] [UnitTests] Add tests for Solution.input_header
  • 2f07f00 [2021-10-23] [Python] Build Solution from YAML input using C++ newSolution
  • a8f4e9e [2021-10-24] [Transport] Improve exception handling
  • 06898c1 [2021-10-24] [Transport] Simplify allocation of empty transport managers
  • 00a38f5 [2021-10-24] [Solution] Skip non-standard YAML reaction fields in header
  • da386e6 [2021-10-23] [Solution] Add information on input data used for newSolution
  • 6a4c505 [2021-04-16] [Python] Expose C++ YAML input data at root level
  • 4286197 [2021-10-23] [Solution] Avoid re-parsing of YAML input in C++
  • 01a8cb6 [2021-04-15] [CI] Switch test_transport.py tests to h2o2.yaml
  • 9a35c78 [2021-10-23] [Python] Address unpythonic Species.fromYaml and Species.fromYamlFile
• #1075 Add pypi package
  • 7f35015 [2021-07-17] [Cython] Fix Windows builds
  • 7c5dfa9 [2021-07-16] [CI] Relax setuptools requirement on Windows
  • 951e3a7 [2021-07-16] [Python Minimal] Use setup.cfg configuration
  • bc539f4 [2021-07-16] [Cython] Use setup.cfg to configure the package
  • b07ad9e [2021-07-16] [Cython] Scope hypot redefinition
  • 6b58ecb [2021-07-16] [Cython] Import sysconfig directly
  • 283305c [2021-07-16] Deprecate global canteraRoot function
  • 76825d1 [2021-07-14] [SCons] Build sundials_config and copy separately
  • 43cf88c [2021-02-03] [SCons/Python] Create the source distribution
  • 088b2c9 [2021-07-16] [SCons] Use pathlib to write combined License file
  • 6c91015 [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 times
  • 700a422 [2021-11-22] [Input] Improve formatting of errors referencing species nodes
  • 724c9d2 [2021-11-21] [Transport] Read acentric factor from critical-parameters field
  • e3b4c18 [2021-11-21] [Thermo] Convert critical properties database to YAML
  • 73b953b [2021-11-21] [Thermo] Read species 'critical-parameters' entries for Peng-Robinson
  • a307f20 [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' runner
  • c9e1d27 [2021-10-31] [CI] Store artifact from docs build
  • 754f012 [2021-11-20] [SCons] Use consistent type hinting for new classes in buildutils.py
  • 3989acb [2021-11-20] [SCons] Consistently use double quotes for configuration options
  • db17945 [2021-11-20] [SCons] Print help comments for 'scons help'
  • dc3613e [2021-11-20] [SCons] Add documentation for additional help command options
  • 5c54ba0 [2021-11-03] [SCons] Add 'scons help --list-options'
  • 1e6b398 [2021-11-03] [SCons] Switch help arguments to options
  • 37da000 [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 option
  • 395300d [2021-11-03] [SCons] Simplify handling of configurations
  • 98f18d9 [2021-11-02] [SCons] Reimplement help based on new objects
  • 4679fed [2021-11-02] [SCons] Consolidate os.name == 'nt' options
  • 8036aec [2021-11-02] [SCons] Add command line options to get-options
  • e6d3721 [2021-10-30] [SCons] Implement 'scons get-options'
  • 7a36172 [2021-11-01] [SCons] Require SCons >= 3.0.0
  • 223ef41 [2021-11-01] [SCons] Update comments
  • 69279f3 [2021-11-01] [SCons] Document openmp_flag defaults
  • 5ffb6d2 [2021-11-01] [SCons] Document pch_flags defaults
  • 1bbb93d [2021-11-01] [SCons] Switch CamelCase to snake_case for defaults
  • a03fcd6 [2021-10-30] [SCons] Refactor default option selection in SConstruct
  • 0304d43 [2021-10-30] [SCons] Update/fix SConstruct formatting
• #1140 Miscellanous small improvements
  • 2d211db [2021-11-20] Fix miscellaneous spelling errors
  • c1c10cb [2021-11-20] Improve error messages from fpValueCheck
  • a886a7c [2021-11-20] [Doc] Add Mu0Poly and Nasa9PolyMultiTempRegion to Python docs
  • 1f5d7c9 [2021-11-19] Use ruamel.yaml instead of ruamel_yaml
  • 48e26b4 [2021-11-19] [1D] Remove unused variable OneDim::m_solve_time
  • 1dbc4eb [2021-11-19] [1D] Switch high-debug-level output from XML to YAML
  • 901e0c5 [2021-11-18] Avoid repeated regex compilation
• #1133 Improve YAML formatting
  • 4b4eee1 [2021-11-19] [CI] Add tests for formatDouble in serialization
  • 236b7a0 [2021-11-19] [Yaml] Ensure that multiple trailing zeros are removed
  • d62eae2 [2021-10-26] [UnitTest] Add test for literal string serialization
  • 5f7a45e [2021-10-26] [Yaml] Implement writing of 'literal' YAML strings
  • 4b5d9d0 [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 silently
  • 773b8ed [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 input
  • ba25dd5 [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 emitters
  • 36227f5 [2021-10-20] [1D] Avoid serializing components that are not used in a given model
  • 82f00a4 [2021-10-20] [YAML] Increase maximum line length when serializing
  • 450b3d2 [2021-10-20] [1D] Improve ordering of keys in YAML output
  • 7ad344a [2021-10-20] [1D] Rename tolerances stored in YAML output files
  • e38b4c2 [2021-10-17] [1D] Update Python examples to use YAML output instead of XML
  • 8a84937 [2021-10-17] [1D] Include Soret-enabled flag in YAML input/output
  • 1734036 [2021-10-17] [1D] Save phase name and source file in YAML output
  • 6f2056f [2021-10-17] [1D] Include max grid point setting in YAML input/output
  • 824f791 [2021-10-17] [1D] Include radiation-related properties in YAML output
  • e793cda [2021-10-17] [1D] Update YAML metadata fields
  • 5c468aa [2021-10-17] [1D] Move domains to top level of saved flame solution
  • bb47a5a [2021-10-07] [1D] Improve test coverage for YAML-based save/restore
  • db502b9 [2021-10-06] [Matlab/1D] Fix usage of outdated component names
  • d98ea6f [2021-10-06] [1D] Update samples to use YAML output instead of XML
  • e9e173f [2021-10-06] [1D] Add generator and Cantera version to YAML output
  • 39e2cb4 [2021-09-22] [1D/Test] Add tests of saving and restoring 1D solutions with YAML
  • 034b3e3 [2021-09-22] [1D] Implement restoring flame solutions from YAML files
  • 3b8637f [2021-09-22] [1D] Add description and timestamp to YAML output files
  • 8bd19c1 [2021-09-21] [1D] Remove unused member variable Domain1D::m_desc
  • 848c923 [2021-09-21] [1D] Make StFlow::flowType a const function
  • deb9139 [2021-09-21] [1D] Serialize StFlow to YAML
  • b7c273a [2021-09-21] [1D] Improve serialization of absolute/relative tolerances
  • c6f96f6 [2021-09-20] [1D] Implement serialization of Boundary1D objects to YAML
  • 2ff8c05 [2021-09-20] [1D] Add basic framework for saving to YAML files
  • 0b68945 [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
  • 861377d [2021-10-20] Simplify report formatting
  • f57e5c8 [2021-10-17] Address fmt::format_to memory_buffer deprecation
  • dc0c6d9 [2021-10-20] Fix compilation warning
• #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
  • a84b6e6 [2021-10-16] Replace c++0x by c++11
  • 05abefd [2021-10-16] Update minimum C++ standard to C++11
• #1120 Fix logic error in CanteraTest.assertNear
  • f46c3bb [2021-10-06] [Test] Fix assertNear to handle inf and nan correctly
  • e64450b [2021-10-17] [Test] Check that unassigned reaction rates return NaN
  • 8bfb4f8 [2021-10-17] [Kinetics] Fix setting parameters of standalone Arrhenius rates
  • feddb76 [2021-10-17] [Test] Add workaround for Plog rate setting test
  • 3560a0d [2021-10-16] [Test] Use valid conditions for checking liquid water properties
  • fca1378 [2021-10-16] [Python/Transport] Fix handling of exceptions from CKMode
  • a623119 [2021-10-16] [Kinetics] Fail fast when adding reactions with optimizations disabled
• #1110 Avoid C/C++ math constants specified as #define
  • a27eb1f [2021-10-02] Add Sqrt2 to constant definitions
  • d888e48 [2021-10-02] Fix formatting / clarify docstring
• #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 examples
  • 4a3410c [2021-10-01] update mech from gri30 to h2o2 in python examples
  • 35d75c2 [2021-10-01] update mech from gri30 to ohmech in cxx examples where appropriate
  • daa73a2 [2021-10-01] update mech from gri30 to ohmech in Matlab examples, but not tutorials
  • 5003a5a [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 limit
  • 235e074 [2021-09-30] Added missing docstring for CKMode() in TransportBase.h
  • 0c51270 [2021-09-25] Formatting changes related to new gas transport properties functions
  • 16eacc9 [2021-09-17] Removed unused variable m_om22 and renamed m_star_poly_uses_actualT
  • b55935d [2021-09-17] Improvements in implementation of Python interface for access and mod…
  • 861d7b4 [2021-08-09] Small changes in test functions
  • 13bb769 [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
  • 211ef0f [2021-09-30] [SCons] Fix F77 sample relative directory
  • 7614f8f [2021-07-06] [SCons] Fix a few more missing imports
• #1106 Update setEnergy.m
  • bf49b66 [2021-09-30] Update setEnergy.m
• #1103 Fix some 1D solver errors
  • ee8c7b0 [2021-09-21] [1D] Fix using non-default tolerances after automatic grid expansion
  • 2c253df [2021-09-20] [1D] Use better initial guess for lambda
  • fa5cdc1 [2021-09-20] [1D] Fix error when reporting singular Jacobian
• #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 setup
  • 05c7e7e [2021-09-16] [Kinetics] Ensure member variables are reset when calling Plog::setRates
  • 30bc6cd [2021-09-16] [Kinetics] Partially roll back changes to Chebyshev
  • 6e37e93 [2021-09-16] Update formatting
  • 38d0b62 [2021-09-14] [Python] Switch sparse matrix output to CSC (from COO) format
  • a5ad534 [2021-09-14] [Kinetics] Use compressed sparse matrix format
  • 1d2fb9f [2021-09-05] [Kinetics] Access Chebyshev coefficients as 'data'
  • e048cc8 [2021-09-05] [Kinetics] Standardize Plog rates access
  • 160eaf5 [2021-08-24] [Unittest] Add test for sparse matrix output
  • 4e3aa5b [2021-08-23] [Python] Make sparse API more efficient and deprecate *stoich methods
  • 8915842 [2021-09-04] [Unittest] Update Chebyshev tests
  • a4873e1 [2021-09-04] [Kinetics] Streamline Chebyshev interface
  • 618ab3d [2021-08-27] [Unittest] Skip some tests if h5py is not installed
  • e068302 [2021-08-24] [GH] Add scipy to coverage tests
  • 2cc52e6 [2021-08-23] [Python] Create sparse stoichCoeff API
  • 1458440 [2021-08-23] [Python] Enable optional scipy.sparse output
  • 6af8881 [2021-08-23] [Kinetics] Use sparse stoichcoeff matrices for internal calculations
  • 0a40fea [2021-08-23] [Kinetics] Merge irreversible and reversible product StoichManagerN
  • bb634fd [2021-08-23] [Kinetics] Implement mechanism for Kinetics::finalizeSetup
  • 1d741a0 [2021-08-23] [Kinetics] Add sparse stoichiometric coefficients in StoichManager.h
  • fd5af70 [2021-08-22] [Kinetics] Remove unused functions from internal StoichManager.h classes
  • 187cfe5 [2021-08-20] [Kinetics] Update ChebyshevRate interface
  • fa86de5 [2021-08-02] [Numerics] Update eigen_dense.h and introduce eigen_sparse.h
  • 594b5b9 [2021-08-20] [Unittests] Resolve unused variable warning in test-surfSolver2
  • aedf63d [2021-08-20] [Thermo] Fix compilation warning in MixtureFugacityTP.cpp
  • 062beaf [2021-08-17] Allow for custom NotImplementedError messages
  • d833018 [2021-08-04] [UnitTest] Fix true_divide RuntimeWarning in test_kinetics.py
  • 086dfce [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 classes
  • ea993e8 [2021-09-16] Bump version to 2.6.0a3
  • c2709d0 [2021-09-16] [SCons] Fix installation of Python package into stage directory
  • de24a3d [2021-09-16] Fix missing "override" specifier on MultiBulkRate::resizeSpecies
  • b3f1a73 [2021-09-16] [Test] Skip conversion tests if no Python package is being built
  • 9d5c9d4 [2021-09-16] [Test] Update TransportFromScratch to stop using CTI/XML
• #1087 Fix pressure dependence in IdealSolidSolnPhase::getPartialMolarEnthalpies
  • 457b1a4 [2021-08-19] Test molar enthalpy for IdealSolidSolnPhas
  • 15e8b5d [2021-08-19] Fix p-dependence in IdealSolidSolnPhase::getPartialMolarEnthalpies
  • 22bb368 [2021-08-03] Adding some commenting to IdealSolidSolnPhase
• #1076 Expose C++ Units to Python
  • 8266605 [2021-09-15] Simplify implementation of UnitSystem::defaults
  • 783f0a0 [2021-09-10] [Units] Improve docstrings
  • b55edca [2021-09-10] [Units] Update checks for unity conversion factor
  • 77b6bcb [2021-09-05] [YamlWriter] Set UnitSystem directly with YamlWriter::setUnitSystem
  • e5f5a0e [2021-09-05] [Python] Shorten UnitSystem.repr
  • 6a7e43d [2021-09-03] [Python] Disable Units constructors with non-unity conversion factors
  • 6e446df [2021-07-18] [Unittest] Add tests for UnitSystem.defaults
  • a0f391b [2021-07-17] [Unittest] Add unit test for Units::str output
  • 022988f [2021-09-03] [Units] Implement shortened Units::unit_str without factor
  • 2583a8c [2021-07-26] [Units] Simplify Units::str()
  • 61e5678 [2021-07-26] [Units] Set YamlWriter UnitSystem directly
  • 72a131c [2021-07-18] [Python] Create API for UnitSystem
  • 6a15e00 [2021-07-19] [Units] Fix activation energy units in UnitSystem::defaults
  • af5bd29 [2021-07-19] [Units] Expose Units::factor to Python
  • b6d207a [2021-07-18] [Units] Implement UnitSystem::defaults()
  • fc64bd3 [2021-07-18] [Units] Prevent invalid temperature and current scales
  • d584d97 [2021-07-18] [Units] Only display units in Units::str
  • e1bce6f [2021-07-18] [Units] Enable detection of factor when constructing from string
  • 98acb03 [2021-07-18] [Python] Implement Python API for Units class
  • fdb9600 [2021-07-18] [Units] Ensure factor is not rounded in Units::str
  • e6750ef [2021-07-17] [Python] Expose rate coefficient and standard concentration units
  • ac02804 [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_constants
  • 1a876a8 [2021-08-16] [Unittest] Test enabling/disabling of use_legacy_rate_constants
  • 755d841 [2021-08-15] [SCons] Set preference for use_legacy_rate_constants at compile time
  • cb2fde0 [2021-08-14] [MATLAB] Implement switch for useLegacyRateConstants
  • 02fa6ab [2021-08-14] [clib] Add support for use_legacy_rate_constants
  • 681c594 [2021-08-14] [Unittest] Do not use legacy rate constant definition for test suite
  • 8bcdf99 [2021-08-14] [Kinetics] Deprecate third-bodies in rate constant calculation
  • 0a7723c [2021-08-14] Implement global flag for use_legacy_rate_constants
• #1061 Reaction rate factories
  • ec67ed1 [2021-08-17] [Kinetics] Remove redundant return statements
  • 9752cf4 [2021-08-12] [Python] Update ReactionRate repr output
  • b559804 [2021-08-12] [Kinetics] Remove unnecessary specializations for getParameters
  • 9462394 [2021-08-12] [Kinetics] Use same nomenclature for Reaction and ReactionRate types
  • 4a9f2c1 [2021-08-12] [Kinetics] Remove standalone sentinel and calls to default constructor
  • 9165cce [2021-07-22] [Kinetics] Enforce correct units for pre-exponential factor
  • 61d5b2f [2021-07-17] [Kinetics] Ensure that reaction rate units are updated
  • fbeb589 [2021-07-17] [Kinetics] Remove kinetics argument from newReactionRate instantiation
  • c3da03c [2021-07-15] [Kinetics] Make reaction.pyx more consistent/readable
  • c4dd817 [2021-07-15] [Kinetics] Deprecate Reaction.fromYaml
  • f027d6c [2021-07-15] [Kinetics] Rename RateFactory to ReactionRateFactory
  • b625d20 [2021-07-15] [Kinetics] Address formatting comments
  • 75bfb65 [2021-06-16] [Kinetics] Enforce reaction rate types
  • 9de4673 [2021-06-15] [Kinetics] Use RateFactory creation for ReactionRate in Python
  • bea247f [2021-06-15] [Kinetics] Add type information to ReactionRate serialization
  • d50a15e [2021-06-15] [Kinetics] Ensure that ReactionRate type matches reaction specifications
  • 304be81 [2021-06-15] [Kinetics] Switch rate constructors to factories
  • cac93e2 [2021-06-15] [Kinetics] Implement newRate factory constructor
  • 9664b07 [2021-06-14] [Kinetics] Implement ReactionRateBase::newMultiRate
• #1074 Fix csv import
  • 375902b [2021-07-16] Add unit test for CSV import with single row
  • 7f78ec5 [2021-07-16] Fix issues with import of SolutionArray from CSV
• #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 list
  • cff20f3 [2021-07-20] Some formatting changes, also added a reference for the acentric factor
  • ab42372 [2021-06-28] Removing incorrect partialCp calculation (Currently, throws
  • 4847b47 [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' to
  • c3104a6 [2021-06-06] Simplifying d(aAlpha)/dT equation
  • 9dcbe0f [2021-05-28] Simplifying the partial molar entropy calculation. The partial
  • 8a00f2f [2021-05-27] Fixing PengRobinson_CO2 test with correct values
  • 45bc471 [2021-04-28] Fixing error in d2aAlphadT2() function
  • bf55e46 [2021-04-27] Adding an error condition in 'getCoeff' function when the given species
  • df39649 [2021-04-27] Fixing error in tests 'activityCoeffs' and 'chempotentials_RT'
  • ff188ee [2021-04-20] Add tests for Peng-Robinson species lookup
  • 712765b [2021-04-20] Pick more challenging conditions for P-R tests
  • 274d50b [2021-04-20] Add Peng-Robinson test for partial molar cp
  • 85b4c87 [2021-04-20] Make Peng-Robinson cp validation test more robust
  • dd5f85a [2021-04-20] Add P-R tests for partial molar properties
  • 99ebc1f [2021-04-14] Renaming YAML field w_ac to acentric-factor
  • 4346660 [2021-04-20] [Thermo] Fix argument passed to MixtureFugacityTP::solveCubic
  • a827653 [2021-04-20] [Doc] Remove incorrect description from PengRobinson::setBinaryCoeffs
  • c9c98b9 [2021-04-16] Fixing an error in 'setBinaryCoeffs()'
  • 73602fd [2021-04-15] Adding a function to calculate partial molar specific heats
  • 4e956e5 [2021-04-15] Modifying the cubic solver test
  • 7b7d4a0 [2021-04-15] Adding a test to validate P-R EoS with CoopProp
  • 4cd7bc0 [2021-04-14] Modifying 'getPressure' test to cover a wider range of temperatures
  • 6370017 [2021-03-26] Fixing indentations and removing redundant statements
  • ca83ea1 [2021-03-26] Removing the unused function 'pressureCalc()'
  • 90e015d [2021-03-26] Renaming _curr vector variables
  • c75bfcf [2021-03-23] Merging 'calculateAlpha' function in 'setSpeciesCoeffs'.
  • 678b8de [2021-03-23] Declaring omega_a, omega_b values as private
  • f82407c [2021-03-23] Adding documentation for certain functions
  • e8db7fa [2021-03-21] Cleaning up some more indentations errors, typos and comments
  • 91fd744 [2021-03-21] Cleaning up whitespaces and some comments
  • 3228036 [2021-03-21] Wrapping up some error messages to keep the line length below 80
  • 113e207 [2021-03-21] Cleaning up whitespaces, typos and redundant variables
  • c8023d2 [2021-03-20] Updating PengRobinson test from thermoFromYaml.cpp
  • dc8f4b7 [2020-11-23] Removing redundant _updateStateThermo() call from thermodynamic
  • a4a23d8 [2020-10-29] Reading w_ac (acentric factor) with a more useful message that will
  • e66a2be [2020-10-29] Adding missing P-R coefficients for CO2 in co2_PR_example.yaml file
  • bb4b99e [2020-10-29] Defined m_a_vec_curr as the array2D type to simplify index calculations
  • 3ad86c5 [2020-10-28] Cleaning up functions to calculate critical properties in Redlich-Kwo…
  • 7f8c518 [2020-10-28] Implementation of partial internal energies
  • 25998bc [2020-10-05] Moved 'calculateAlpha' inside the 'setSpeciesCoeff' function
  • 1aac5e1 [2020-10-05] Changed the function name 'pressureDerivatives' to
  • abeda91 [2020-06-23] Modifying the explaination for solveCubic function to be more clear and
  • fcd1562 [2020-06-16] Modified Peng-Robinson to test file to read phase from
  • 313bf53 [2020-06-15] Modifying comments and correcting typos
  • d0a1d83 [2020-06-06] Update documentation of PengRobinson/MixtureFugacityTP
  • 71b07f8 [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_vec
  • ba0382e [2020-04-08] Cleaning up the redundant code, correcting indentations and tabs
  • 578738f [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/PengRobinson
  • e631f14 [2020-01-31] Fixing indexing error in PengRobinson:d2aAlpha_dT2
  • 514f4ce [2020-01-27] Adding following tests to PengRobinson_Test.cpp to verify that
  • 90b042c [2020-01-22] Changing 'bad' to 'poorly' in MixtureFugacity TP error message
  • 114d666 [2021-04-19] Make Peng-Robinson constructible by ThermoFactory
  • 33684a5 [2020-01-21] Adding cubic solver test
  • d61bc3b [2020-01-17] Testing critical property lookup for PengRobinson.
  • ecf76bf [2020-01-16] Remove unnecessary overrides in MixtureFugacityTP and children
  • 5362264 [2020-01-16] Adding ThermoFromYAML:PengRobinson_CO2 test
  • 5c57e98 [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 argument
  • 8e68471 [2021-06-02] [One_dim] add normalize to flamebase to solutionArray importer
  • 452a26f [2021-05-28] [SolutionArray] Establish an append rules for SolutionArray
  • 31c8eef [2021-05-28] [Test] include append with state in test_composite
  • a0cc32c [2021-05-28] [SolutionArray] Ensure consistent default values for importers
  • 9d3415d [2021-05-26] [Test] include vapor fraction check in test_composite
  • 09becb2 [2021-05-22] update some docstrings
  • def6f3e [2021-05-18] remove no_norm properties
  • 7ed35b2 [2021-05-12] update authors' list
  • 9c7f2f1 [2021-05-12] rename non-normalized unit test methods
  • 9384aa8 [2021-05-11] Add unittests for solutionArray importers non-normalized data
  • ff51ead [2021-05-10] update SolutionArray documentation
  • d962e0c [2021-05-10] pass code testing
  • 42ba87c [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
  • 74293ee [2021-06-15] [Tests] Avoid exact comparison of floats
  • ae1ba17 [2021-06-14] Support legacy ruamel.yaml loaders
• #1063 Individual Reactor Initialization - Segmentation Fault Fix.
  • 44f54d2 [2021-06-26] Adjusted the test tolerance and completed suggested formatting changes
  • 1204500 [2021-06-25] This commit applies a suggested simplification to the test.
  • 367e3a3 [2021-06-21] Remove t0 from updateConnected function call
  • 0b6f236 [2021-06-20] Using vector as a fix for CI instead of raw double pointer
  • df0d5ac [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 tests
  • 28fe892 [2021-06-16] [Test] Remove silane_equil test
  • 2e9e7e0 [2021-05-16] [Test] Remove unnecessary 'surfkin' test
  • 5975591 [2021-05-16] [Test] Use YAML input for IdealMolalSoln test
  • a72f643 [2021-05-16] [ctml2yaml] Add missing phase name aliases
  • cc07faf [2021-05-16] [Test] Use YAML input for ideal solid solution tests
  • 64bc227 [2021-05-16] [Test] Use YAML in LatticeSolid equilibrium test
  • 41de018 [2021-05-16] [Test] Use YAML input in stoichSolidKinetics test
  • 582662f [2021-05-16] [ctml2yaml] Treat missing reaction array as empty
  • 2deb981 [2021-05-15] [Test] Use YAML input for HMWSoln tests
  • 0ae655d [2021-05-15] [ctml2yaml] Fix conversion of HMW phase with implicit TempModel
  • 1a63c87 [2021-05-15] [Test] Update DH_graph tests to use YAML inputs
  • 8e07738 [2021-05-15] [Test] Re-enable CpJump test and convert to YAML
  • b1ceccd [2021-05-15] [Test] Update runDiamond test to use YAML
  • c465daa [2021-05-15] [Kinetics] Make phase list argument to newKinetics const
  • 8086dd2 [2021-05-15] [Test] Replace CTI file used in ChemEquil_ionizedGas test
  • 9f21d9b [2021-05-15] [Input] Fix conversion of CTI files with no reactions
  • 6cd6a34 [2021-05-15] [Test] Remove unused cases from surfSolver tests
  • b666216 [2021-05-13] [Test] Replace CTI with YAML in surfSolverTest
  • b896926 [2021-05-13] [Kinetics] Fix checking phase dimension in newReaction
  • 74e7b86 [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 Actions
  • 892618f [2021-06-09] [SCons] Do not show logging WARNINGS unless verbose_tests=yes
  • cdc57b0 [2021-06-09] [SCons] Add verbose_tests flag
  • 548b2f1 [2021-05-10] [CI] Hide longest test durations by default
  • 91368c0 [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 Python
  • e1256ea [2021-06-06] [Kinetics] Make rate constructor keyword consistent
  • 452437b [2021-06-06] [Kinetics] Remove transitional Reaction3 object
  • 3e6a7c2 [2021-06-06] [Kinetics] Streamline code based on review comments
  • 60238ab [2021-06-02] [Kinetics] Simplify handling of legacy methods in Python reactions
  • 3fa9d9c [2021-06-02] [Kinetics] Make remaining Python reactions agnostic of framework
  • dbe62ba [2021-06-02] [Kinetics] Make Python ChebyshevReaction agnostic of framework
  • 1add0f7 [2021-06-02] [Kinetics] Make Python PlogReaction agnostic of framework
  • b257896 [2021-06-02] [Kinetics] Introduce Python Reaction.uses_legacy flag
  • 1f89bec [2021-06-02] [Kinetics] Always reference underlying C++ type in Python reaction type
  • d1e283c [2021-05-31] [Kinetics] Prepare ReactionData for holding species information
  • 8a4c3b4 [2021-05-26] [Kinetics] Clarify Reaction3 docstring
  • 5589e66 [2021-05-18] [Kinetics] Allow setting of ElementaryReaction.rate using legacy Arrh…
  • f024fb0 [2021-05-18] [Kinetics] Use numbered *Reaction2 labels for old Python framework
  • 442b94f [2021-05-18] [Kinetics] Implement *Reaction2 in conjunction with C++ preprocessor
  • 78ee991 [2021-05-17] [Kinetics] Use suffix -legacy rather than -old for reaction type names
  • cd7fc81 [2021-05-17] [Tests] Simplify test_reaction.py
  • dd8ac41 [2021-05-17] [Kinetics] Fix Python docstrings
  • eeb9da7 [2021-05-17] [Kinetics] Remove non-void ReactionData constructors & simplify code
  • ca43d6b [2021-05-13] Update definition for NaN
  • 3eeafe5 [2021-05-10] [Tests] Remove deprecation warnings and update unit tests
  • ac7c164 [2021-05-13] [Kinetics] Update serialization of unconfigured reaction rates
  • 75ad275 [2021-05-13] [Kinetics] Non-configured reaction rates return SNAN
  • 0a90ba8 [2021-05-13] [Kinetics] Add Reaction3::undeclaredThirdBodies
  • 112f688 [2021-05-13] [Kinetics] Save input node within ReactionRate.h
  • ea9f294 [2021-05-08] [Tests] Add tests for deprecated reaction properties
  • 90ab9b5 [2021-05-10] [Kinetics] Fix logic for modifyReaction exception
  • 699aca3 [2021-05-09] [Kinetics] Update Plog3 instantiation
  • 16c76a0 [2021-05-08] [Kinetics] Add transitional deprecated Reaction3 properties
  • 791660a [2021-05-08] [Kinetics] Revert to dynamic_cast in MultiRate.h
  • 7caca5e [2021-04-27] [CI] Fix kineticsFromScratch3
  • 1b921ff [2021-04-27] [CI] Add checks for serialization of new ReactionRate objects
  • a017d3e [2021-04-27] [Kinetics] Create ReactionRate objects from Python input_data
  • 56b7f48 [2021-04-27] [Kinetics] Complete serialization of ReactionRate
  • 6f746cc [2021-04-27] [Kinetics] Tweak performance of MultiRate
  • c95be9a [2021-04-27] [Kinetics] Update docstrings
  • 67ee888 [2021-04-27] [Kinetics] Streamline setParameters
  • 6a9abe5 [2021-04-27] [Kinetics] Organize new code sections
  • 124cf82 [2021-03-25] [CI] Add unit tests for Python ReactionRate objects
  • fdfa715 [2021-03-25] [Kinetics] Update documentation for Reaction3 classes
  • 058cde3 [2021-03-25] [Kinetics] Remove unused and mark deprecated Python methods
  • 2722fa2 [2021-03-25] [Kinetics] Construct ArrheniusRate from Arrhenius
  • 62eb45b [2021-03-24] [Kinetics] Deprecate ChebyshevRate in favor of Chebyshev
  • f22e44b [2021-04-26] [Kinetics] Implement getParameters for ChebyshevReaction3
  • fd05783 [2021-03-24] [Kinetics] Make ChebyshevReaction3 default for YAML import
  • 11191df [2021-03-24] [Kinetics] Expose ChebyshevReaction3 to Python
  • 34ce91e [2021-03-24] [Kinetics] Implement ChebyshevReaction3
  • 31c51c2 [2021-03-24] [Kinetics] Implement ChebyshevRate3 wrapper for ChebyshevRate
  • 21fac8a [2021-03-24] [CI] Update unit tests
  • 3edce4e [2021-03-24] [Kinetics] Simplify setParameters
  • 7400258 [2021-03-23] [Kinetics] Simplify validation checks
  • 5bc1b96 [2021-03-23] [Kinetics] Introduce ReactionRate::validate
  • cb53cca [2021-03-23] [Kinetics] Make PlogReaction3 default for YAML import
  • d8cb2bb [2021-03-23] [Kinetics] Expose PlogRate and PlogReaction3 to Python
  • 54b1b1a [2021-03-23] [Kinetics] Streamline MultiRate update mechanism
  • 0714862 [2021-03-23] [Kinetics] Implement PlogReaction3
  • d7712ec [2021-03-23] [Kinetics] Implement PlogRate
  • c4be7d4 [2021-03-22] [samples] Add XML benchmark to custom_reaction.py
  • b48cc69 [2021-03-22] [Kinetics] Switch ArrheniusRate to customary activation energy units
  • 0313675 [2021-03-22] [Kinetics] Add init to PlogReaction and ChebyshevReaction
  • fa71be2 [2021-03-22] [CI] Switch test_reaction.py to kineticsfromscratch.yaml
  • cb80911 [2021-03-22] [Kinetics] Prepare for unified handling of third-body concentrations
  • 2e79236 [2021-03-22] [CI] Add unit tests for conversion from YAML
  • ca4b7ce [2021-03-22] [Kinetics] Simplify Python constructors
  • aed16b4 [2021-03-21] [Kinetics] Switch ThreeBodyReaction to ThreeBodyReaction3
  • a27a273 [2021-03-21] [CI] Add unit tests for ThreeBodyReaction3
  • 66337bb [2021-03-21] [Kinetics] Update cython interface
  • 1a95c42 [2021-03-21] [Kinetics] Implement ThirdBody handling for ThreeBodyReaction3
  • bfd4c51 [2021-04-25] [Kinetics] Add getParameters to ThreeBodyReaction3
  • 67365d9 [2021-03-21] [Kinetics] Expose ThreeBodyReaction3 to Python
  • 379ae50 [2021-03-21] [Kinetics] Create ThreeBodyReaction3
  • a840e9c [2021-04-25] [Kinetics] Add setParameters to ElementaryReaction3
  • 8a2a61b [2021-03-21] [Kinetics] Fix shadowed member variable
  • 65de298 [2021-03-20] [Kinetics] Rename Reaction2 to Reaction3 to reflect Cantera version
  • d1221a8 [2021-03-20] [CI] Accommodate new names in conversion tests
  • d7cc6a5 [2021-03-20] [CI] Update Python tests
  • 52ed8f6 [2021-03-20] [Kinetics] Expose ElementaryReaction2 to Python
  • e2cf0a2 [2021-03-19] [CI] Create test/kinetics/kineticsFromScratch2.cpp
  • 912f799 [2021-03-20] [Kinetics] Ensure integration works
  • e14396d [2021-03-20] [Kinetics] Return boolean from Reaction2::setParameters
  • 334eb3f [2021-03-20] [Kinetics] Separate ReactionFactory for AnyMap and XML
  • 1104d56 [2021-03-20] [Kinetics] Implement Reaction constructors for AnyMap
  • 9c366d0 [2021-03-19] [Kinetics] Create ElementaryReaction2 class
  • 1d3ddfa [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_load
  • 47eb64d [2021-06-02] [Tests] Update formatting
  • ab9599b [2021-06-02] [Tests] Remove unused imports in Python tests
  • c3d0f0b [2021-06-02] [Python] Simplify Path conversion logic
  • 94d5b0e [2021-06-02] [Tests] Replace joinpath by operator '/'
  • 57ae371 [2021-06-02] [Tests] Simplify code per review comments
  • d8a28d8 [2021-06-01] [Tests] Simplify access to work and data folders
  • 5f87448 [2021-06-01] [Tests] Transition some tests to pathlib
  • 9e437e0 [2021-06-01] [Python] Support pathlib Path for Solution and add_directory
  • dacd3e4 [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
  • 33a2e87 [2021-05-19] [Test] Explain rationale for non-smooth mass flow rate function
  • 4e0040f [2021-05-15] [Test] Replace square wave with triangle wave in test_mass_flow_contr…
• #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 fitDiffCoeffs
  • eb7b4ff [2021-05-11] Improved code style
  • 68b282b [2021-05-02] Resolve windows test failures
  • 6b2403d [2021-04-29] small change in tests for transport polynomials
  • 5489843 [2021-04-25] Improved implementation
  • 1729bb0 [2020-03-23] Added tests for access functions to gas transport polynomial fits
  • f99cf3a [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 formatting
  • d91cceb [2021-05-09] [Test] Switch ion flame tests to ch4_ion.yaml
  • 7475d8f [2021-05-08] [Test] Augment test for undeclared third bodies
  • b38d892 [2021-05-09] [Kinetics] Refine logic for skipped reactions
  • b7a213d [2021-05-08] [Kinetics] Ensure that reaction balance is always checked
  • a546db0 [2021-05-08] [Kinetics] Move checks of reactions from Kinetics to Reaction
  • d5acbea [2021-04-29] Make divider lines for error messages 80 characters
  • 156450c [2021-04-29] [Test] add unit tests for detection of undeclared species
  • 0f2022a [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 tests
  • d1d7aa1 [2021-05-01] [Python] Fix compilation with Cython 3.0a6
  • 8058349 [2021-05-01] [Test] Replace XML with YAML for ReactionToYaml tests
  • 74044b2 [2021-05-01] [Test] Remove dead code from ThermoPhase_Test.cpp
  • c73eb89 [2021-05-01] [Test] Replace XML with YAML in more gtest tests
  • 1c2430f [2021-05-01] [Base] Deprecate rarely-used file output functions
  • 59be938 [2021-04-30] [Kinetics] Fix serialization of Blowers-Masel rates
  • ea7a814 [2021-04-30] [Test] Remove redundant IonsFromNeutral test
  • de9a281 [2021-04-30] [Test] Migrate ThermoYamlRoundTrip tests from XML to YAML
  • 875a1de [2021-04-30] [Test] Convert gasNASA9.xml to YAML
  • c6cda83 [2021-04-30] [Test] Replace CTI with YAML in RedlichKwong test
  • 8fa20c3 [2021-04-30] [Test] Replace XML with YAML in MaskellSolidSolnPhase tests
  • cc47098 [2021-04-30] [Thermo] Check for required inputs of Maskell thermo model
  • 903b456 [2021-04-30] Rename "isEmpty" to "empty"
  • 2b3927c [2021-04-30] [ctml2yaml] Handle trailing commas in lists
  • eb31985 [2021-04-30] [Test] Replace some uses of frac.cti and ptcombust.cti
  • 93dc119 [2021-04-29] [Test] Replace simplephases.cti with YAML
  • f78f796 [2021-04-29] [Test] Replace CTI with YAML for BinarySolutionTabulatedThermo test
  • 6002358 [2021-04-29] [Test] Replace kineticsfromscratch.cti and sofc-test.xml with YAML
  • 5158d9b [2021-04-29] [Input] Fix error serializing Quantity with converter functions
  • 7a4199f [2021-04-29] [Kinetics] Fix initialization of FalloffReaction
  • 0359b53 [2021-04-29] [Input] Fix YAML file-based constructor for SurfPhase
  • 1317767 [2021-04-27] [Test] Avoid unnecessary creation of Transport objects
  • c9e2d7e [2021-04-26] [Test] Allow skipping of slow test_problems tests
  • 2ffde3b [2021-04-26] [Test] Add option to skip slow (Python) tests
  • 6760f73 [2021-04-26] [Test] Transition use to pdep-test.yaml
  • 5b5a4bc [2021-04-25] [Test] Replace CTI input file in duplicate reaction test
  • 40e7910 [2021-04-23] [Test] Always use YAML input in reactor tests
  • 9df1f64 [2021-04-23] [Test] Speed up some reactor network tests
  • ad5cad1 [2021-04-23] [Test] Speed up bad transport geometry test
  • 11d05a7 [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 calls
  • 26a5175 [2021-04-23] Use f-string in quoted function
  • 27696fe [2021-04-19] Rename mglob function to multi_glob
  • f8d54f7 [2021-04-19] Update type hinting in buildutils
  • 425aba0 [2021-04-16] Update CI for Conda and Windows
  • be04f1d [2021-04-15] Fix flake8 suggestions
  • edf5e4c [2021-04-15] Limit exported functions from buildutils
  • d1eacf7 [2021-04-15] Refactor the loggers to a single instance
  • f5dc022 [2021-04-14] Rename and refactor get_command_output
  • 53e07ce [2021-04-13] Refactor and rename getSpawn
  • 8c4fa0f [2021-04-13] Refactor help output for our configuration
  • 2dfb3d6 [2021-04-13] Use pathlib in mglob
  • 97fc050 [2021-04-12] Rewrite which function to use pathlib
  • c7a5d18 [2021-04-12] Replace stripDrive with pathlib
  • 1896a05 [2021-04-12] Bump SUNDIALS to 5.7 in CI
  • 98825f1 [2021-04-12] Remove Python 2 build from CI
  • 87c1a3f [2021-04-12] Refactor CSV and profile tests to better use NumPy
  • 3749acc [2021-04-12] Refactor text file comparison
  • bca7afc [2021-04-12] Refactor regression_test function
  • 83eacc0 [2021-04-12] Rename print_report and test_results to snake case
  • febd00c [2021-04-12] Use f strings and brace format in config.h files
  • 4bf2443 [2021-04-12] Enforce Python 3.6 or higher for building
  • 1fb56b0 [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_types
  • 9447dac [2021-04-23] [Python] Add clarifications and streamline code
  • 8de5bb4 [2021-04-20] [Python] Test that AnyValue held types are correct
  • ce57ed3 [2021-04-20] Use alternative implementation of python_to_anyvalue
  • 84e0d49 [2021-04-20] Print nicer names for more AnyValue types
  • 924c916 [2021-04-19] [Python] streamline implementation
  • ae7b54f [2021-04-17] [Python] Improve error messages for conversions from Python to AnyValue
  • e3ee42f [2021-04-17] [Python] Improve Python API for empty AnyValue/AnyMap objects
  • af5cd4a [2021-04-17] [CI] Add unit tests for Python to AnyValue/AnyMap conversion
  • 2035981 [2021-04-17] [Python] Convert complex Python types to C++ AnyValue
  • 2810433 [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 comment
  • 5cce93e [2021-04-27] [SCons] Add AnyMap.h to precompiled header
  • 40c4002 [2021-04-27] [CI] Use all three CPUs available on macOS builders
  • f72bbf6 [2021-04-27] [Test] Skip test_ignition_delay_sensitivity
  • 96c34db [2021-04-27] [CI] Fix environment variable for pytest-github-actions-annotate-fail…
  • 6015a46 [2021-04-26] [CI] Start coverage job immediately
  • fd41315 [2021-04-25] [Input] Avoid over-eager conversions to double
  • 0d45b10 [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 CounterflowTwinPremixedFlame
  • 4db9e2c [2021-04-25] [Test] Parse pytest results with SCons
  • eec5898 [2021-04-25] [CI] Show SCons timing info
  • 8d645f2 [2021-04-25] [Test] Provide test timings and other info in pytest output
  • 9fa2793 [2021-04-25] [Test] Fix interaction with pytest's use of tempfile
  • 26e7aff [2021-04-25] [CI] Install pytest
  • b2ef29b [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 reactions
  • 05983e7 [2021-04-22] [Kinetics] Update duplicate check for undeclared three-body reactions
  • 967ea58 [2021-04-19] [CI] unit tests for detection of implicit three-body reactions
  • c69461c [2021-04-16] [Kinetics] Catch undetected third bodies in calculateRateCoeffUnits
  • 0fef570 [2021-04-15] [CI] Update regression test references
  • 06d2830 [2021-04-14] [Kinetics] Refine criteria for the detection of third body species
  • b01d44d [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 constants
  • aab8815 [2021-04-14] Bump version to 2.6.0a2
  • c6609aa [2021-04-14] [Input] Serialize BlowersMasel reactions
  • fb00669 [2021-04-14] [Kinetics] Use calculateRateCoeffUnits for sticking coefficients
  • 1d548be [2021-04-14] [Examples/Python] Reformat docstring for Blowers-Masel example
  • bf4edbb [2021-04-10] Add 2 plots in the Blowers-Masel example
  • c6f568d [2021-04-06] Add an example about use case of Blowers-Masel code
  • 28e29f9 [2021-03-30] Fix some formatting/whitespace issues
  • f6ff6a7 [2021-03-29] add more docstrings about the Blowers-Masel classes
  • e769279 [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 phases
  • f043e06 [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 working
  • 5513452 [2021-03-04] [Test/Cython] The unit tests for Blowers Masel interface
  • 27fbf94 [2021-03-04] [Kinetics/Cython] Add Blowers Masel interface reaction and
  • 62e99b2 [2021-03-04] [Test/Cython] Add unit tests for Blowers Masel reaction and rate classes
  • c5375ff [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 serialization
  • c09d26e [2021-04-13] [Input] Fix AnyMap handling of 2D string / boolean arrays
  • 9b2bad6 [2021-04-12] [Input/Test] Add tests of solution properties for round-tripped phases
  • c88b44a [2021-04-12] [Input/Examples] Update Python examples to demonstrate YAML output
  • 65dd8e9 [2021-04-12] [Python/Input] Make function names more Pythonic
  • 716e397 [2021-04-12] [Input] Refactor to reduce Python manipulations of AnyMap
  • df262a0 [2021-04-11] [Input] Use full AnyMap sorting algorithm in all cases
  • 8b8bf4b [2021-04-11] [Input] Fix key ordering when outputting to Python
  • 8f947d0 [2021-04-10] [Input] Set rate_units for reactions whenever possible
  • 1465fde [2021-03-13] [Input] Serialize Redlich-Kwong binary interaction parameters
  • e6f5195 [2021-03-10] [Input/Python] Enable generation of YAML files from Python Solutions
  • 50612a0 [2021-03-10] [Input] Add tests of YamlWriter for surface and edge phases
  • 32672b0 [2021-03-10] [Input] Handle variable output units for all thermo/species thermo types
  • 2a8c892 [2021-03-10] Eliminate redundancy in implementation of AnyValue::as
  • b8e2591 [2021-03-09] [Input] Handle variable output units for all reaction types
  • f6bd2c0 [2021-03-08] [Input] Add option of setting units to YamlWriter
  • 685168c [2021-03-08] [Input] Add control over units of constructed AnyMap objects
  • 1a3f65d [2021-03-06] [Input] Share UnitSystems among nested AnyMaps
  • 73f779f [2021-03-06] [Input] Enable conversion of added data to units of the parent AnyMap
  • bae272c [2021-02-03] [Input] Provide control over ordering of YAML fields
  • 1988810 [2020-01-23] Make AnyMap::applyUnits idempotent
  • a1d9767 [2020-01-22] Add functions for conversion from given units into a UnitSystem
  • 0f0a020 [2020-01-22] [Python] Add access to input data for Reaction objects
  • 148e3d9 [2020-01-22] Add extra information to AnyValue::getMapWhere error messages
  • b8c04c2 [2020-01-21] [Python] Add access to input data for Species objects
  • b01c8b4 [2020-01-21] [Python] Add access to input data for Solution objects
  • 17497d0 [2020-01-15] [Python] Add conversion of AnyMap to native Python types
  • c8b3305 [2020-01-13] [Test] Add round-trip serialization tests for thermo models
  • caa543b [2020-01-13] [Input] Fix serialization when species has no thermo model
  • 1d2f535 [2020-01-13] [Input] Serialize phase state using native state variables
  • c5032d0 [2020-01-13] [Input] YamlWriter can use separate Thermo/Kinetics/Transport objects
  • 77ea7b6 [2020-01-13] [Input] Serialize species-specific data for DebyeHuckel model
  • e477d3f [2020-01-12] [Input] Implement serialization of PDSS_SSVol
  • 7aeaa5a [2020-01-12] [Input] Serialize PDSS_HKFT
  • 1091ca2 [2020-01-07] [Input] Serialize PDSS_ConstVol, PDSS_IdealGas, PDSS_Water
  • 335a639 [2020-01-07] [Input] Serialize PDSS_IonsFromNeutral
  • 0ba57cc [2020-01-07] [Input] Enable serialization of Redlich-Kwong species
  • eff43d2 [2020-01-07] [Input] Serialize equation-of-state data for StoichSubstance
  • d414924 [2020-01-07] [Input] Serialize equation-of-state data for LatticePhase/LatticeSoli…
  • 227c9c3 [2020-01-07] [Input] Serialize equation-of-state data for IdealSolidSolnPhase
  • 0fc2dd9 [2020-01-07] [Input] Add pathway for serialization of equation-of-state data
  • fdfc384 [2020-01-07] [Input] Add option to skip user-defined fields when writing to YAML
  • 282b4b2 [2020-01-07] [Input] Retain input species thermo data
  • 831f4fe [2020-01-05] [Input] Preserve order of items when outputting YAML maps
  • 2bd7e05 [2020-01-05] [Input] Enable optional use of flow mode for outputting YAML maps
  • 83dba4d [2019-12-16] [Input] Use stream-based YAML output method to allow formatting control
  • 6e2a38e [2019-12-13] [Input] Improve float formatting in YAML output
  • 5db4151 [2021-01-30] [Input] Implement serialization of more complex phase types
  • 1f0c9c6 [2019-11-25] [Input] Add transport model specification to YamlWriter output
  • 91449db [2019-11-25] [Input] Add reactions/kinetics to YamlWriter output
  • 6c90549 [2019-11-24] [Input] Implement serialization of interface reactions
  • dd4c001 [2019-11-17] [Input] Implement serialization of gas phase reactions
  • 382177c [2019-11-16] [Input] Introduce YamlWriter class for input file serialization
  • ee1e55e [2019-11-16] [Input] Make Species objects serializable, including transport data
  • 6450252 [2019-11-12] [Input] Make simple ThermoPhase objects serializable
  • 72701c2 [2019-11-12] [Input] Implement serialization of species thermo objects
  • 114e95b [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 library
  • 70f3530 [2021-04-03] Fix compiler warning with more recent SUNDIALS
  • 0795a06 [2021-04-03] [SCons] Don't print Boost info if it isn't found
  • 388f03c [2021-04-03] [SCons] Fix LAPACK defines for SUNDIALS
  • 750c0c7 [2021-04-03] Simplify header includes in BandMatrix
• #1007 Update to 88 character maximum per line
  • 3803972 [2021-04-07] Correct reference to CI runners
  • cbb1c82 [2021-04-07] 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 examples
  • 68e0cb9 [2021-02-24] [Examples] Don't use doublereal typedef
  • 3c6ec70 [2021-02-24] [Examples] Fix typos in LiC6 electrode example
  • 1917f0a [2021-02-24] [Examples] Remove outdated READMEs
  • 9644788 [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
  • 99a0714 [2021-03-25] [CI] Run one build with PCH disabled
  • 2a17be0 [2021-03-25] 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::setParameters
  • 4809308 [2021-03-19] [Kinetics] simplify Reaction.wrap
  • 46185de [2021-03-19] [Kinetics] finalize ReactionRate and corresponding data types
  • 3cd7eee [2021-03-19] [Kinetics] implement review comments
  • 69820f3 [2021-03-18] [Func1] roll back blocking method callbacks
  • 4de120d [2021-03-15] [Kinetics] add intermediate class Reaction2 as base for new framework
  • ec804c6 [2021-03-15] [Kinetics] minor updates
  • 624c3cf [2021-03-14] [Kinetics] switch to MultiRateBase framework
  • 3723c24 [2021-03-14] [Kinetics] add MultiRateBase evaluator class
  • 3fc3d3b [2021-03-14] [Kinetics] implement Reaction::setup method
  • bdfc802 [2021-03-14] [Kinetics] add XML related 'todo' comments to ReactionFactory
  • 28b41d0 [2021-03-14] [Kinetics] create ArrheniusRate from AnyMap
  • 72e4ace [2021-03-13] [Kinetics] introduce reaction-rate specific shared data types
  • 3d2cb64 [2021-03-13] [Kinetics] address 'simple' review comments for new reaction framework
  • 96e63e2 [2021-03-07] [kinetics] add signatures for analytical derivatives to RxnRates
  • 0b45b20 [2021-03-07] [Kinetics] store specialized RxnRate objects without pointers
  • dfc4ea4 [2021-03-06] [examples] switch custom_reactions.py to gri30.yaml
  • 6b62874 [2021-03-07] [Kinetics] store specialized reaction rate types separately
  • 5c3e62e [2021-03-07] [Kinetics] switch from map to vector of RxnRate pointers
  • 788a030 [2021-03-07] [Kinetics] mark derived RxnRate classes as 'final'
  • 9f9f883 [2021-03-06] [Kinetics] create State data container for RxnRate evaluations
  • 0d1f246 [2021-03-06] [Kinetics] make RxnRate thread-safe
  • b93cfcb [2021-03-06] [Kinetics] eliminate reg_addRxn and reg_modRxn
  • 9f5e0f7 [2021-03-02] [Kinetics] minor simplifications and edits
  • 5be2bf9 [2021-03-02] [samples] illustrate usage of Python CustomReaction
  • c3518aa [2021-03-02] [UnitTest] add tests for TestReaction
  • 132bbbe [2021-03-02] [Kinetics] expose TestReaction to Python interface
  • da0cbf9 [2021-03-01] [UnitTest] include new test in init
  • 6f7b293 [2021-03-01] [Kinetics] create TestReaction for benchmarking purposes
  • 993d491 [2021-03-01] [UnitTest] Create stand-alone file to test reactions
  • f819e3c [2021-03-01] [Func1] prevent invalid callback functions.
  • ba53274 [2021-03-01] [Kinetics] update state used for RxnRate calculations
  • 8fcd588 [2021-03-01] [Kinetics] add alternative ArrheniusRate
  • b2a65ae [2021-03-01] [Kinetics] generalize addition of RxnRate in GasKinetics
  • 5d10e47 [2021-03-01] [Kinetics] enable calculation of rate constants for CustomReaction
  • 8bd866c [2021-02-28] [Kinetics] Create C++ abstract base class RxnRate
  • 22a651c [2021-02-28] [Kinetics] make CustomRate persistent withing CustomReaction
  • 0ce786a [2021-02-28] [Func1] make CxxFunc1 shareable
  • 554eb99 [2021-02-28] [Kinetics] make C++ pure abstract base class
  • 2d05871 [2021-02-27] [Kinetics] finalize deprecation of reaction type magic numbers
  • 478cbe8 [2021-02-27] [Kinetics] deprecate functions referencing magic numbers
  • f0868c7 [2021-02-27] [Kinetics] expose reaction_type_str to Python
  • 39bb765 [2021-02-27] [Kinetics] Replace remaining references to reaction_type
  • fe29554 [2021-02-27] [Kinetics] mark unused reaction type magic numbers
  • 20be280 [2021-02-27] [Kinetics] add default constructor for C++ Reaction
  • 8f2d181 [2021-02-27] [Kinetics] simplify naming of CustomPyRate
  • 6d8a900 [2021-02-26] [Kinetics] add initial unit tests
  • 72fe02e [2021-02-27] [Kinetics] create hooks in GasKinetics
  • 3a5deca [2021-02-27] [Kinetics] replace magic numbers
  • 4ca1dc9 [2021-02-27] [Kinetics] introduce boolean to mark reaction validity
  • 43bf899 [2021-02-23] [Kinetics] implement setup of CustomReaction
  • 6a39afa [2021-02-23] [Kinetics] implement Python constructor for CustomReaction
  • 291f4fc [2021-02-22] [Kinetics] expose CustomReaction to Python
  • adcdf2a [2021-02-22] [Kinetics] create rudimentary hooks for CustomPyReaction
  • 7403d67 [2021-02-22] [Kinetics] initial draft for custom reaction rate defined in Python
  • 2dfcd59 [2021-02-22] [Scons] add reference to test-help after build
  • 8fed07a [2021-02-22] [Kinetics] add missing header files
  • d6dd747 [2021-02-21] [Kinetics] ensure correct setup routine is called for XML node
  • f787bdb [2020-01-27] [Reaction] replace m_synonyms by addAlias
  • 0f6c346 [2019-12-28] [Kinetics] move isElectrochemicalReaction
  • 02d8c1b [2019-11-14] [Kinetics] buffer available Reaction class constructors in Cython
  • c305097 [2019-11-11] [Kinetics] make GasKinetics extendable
  • 8be0fc7 [2019-11-09] [Kinetics] simplify newReaction
  • 0e4c682 [2019-11-08] [Kinetics] remove magic numbers from Python interface
  • 5174aa7 [2019-11-09] [Kinetics] add setup function wrappers to ReactionFactory
  • 60fbca4 [2019-11-07] [Kinetics] add Reaction::type method
  • 859e91e [2019-11-05] [Kinetics] create ReactionFactory
• #981 Fix using reactors with both surface and gas phase chemistry with YAML input
  • c6ff662 [2021-02-19] [Test] Use YAML input for reactor surface test
  • 0f281f6 [2021-02-19] [Reactor] Fix using reactor surface 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
  • e70371a [2020-09-01] Add regression test using custom.cpp example
  • 2f7dde4 [2020-09-01] Add custom.cpp example to scons automatic builds
  • 3a70456 [2020-08-28] New C++ custom ODEs example
• #979 Compile speedup
  • d557e50 [2021-02-18] [CI] Show Ubuntu version in build name
  • 44918d2 [2021-02-18] [CI] Drop Python 3.5 builds
  • bb957cb [2021-02-18] [CI] Speed up coverage build
  • 3c52850 [2021-02-18] [CI] Disable debug symbols in most builds
  • 66fda02 [2021-02-18] [Thermo] Combine file-based and default constructors
  • 434f439 [2021-02-18] Deprecate site density arg to EdgePhase/SurfPhase constructor
  • edf17e7 [2021-02-17] [Thermo] Deprecate m_formGC constructor arg to IdealSolidSolnPhase
  • 89818bf [2021-02-17] Remove excess includes from header files
  • fab5207 [2021-02-17] Move parts of Array2D implementation out of header
  • 91e4afb [2021-02-17] Deprecate thermo_t typedef for class ThermoPhase
  • 4b1b2bc [2021-02-17] [Kinetics] Remove unused member variable from FalloffMgr
  • d65c299 [2021-02-17] Remove excess includes from Phase.h and ThermoPhase.h
  • bc9a19d [2021-02-16] Consolidate VCS solver source files
  • bae121a [2021-02-16] [SCons] Stop using header-only version of fmt library
  • ccc216d [2021-02-16] [SCons] Fix cases where external libraries weren't being linked
• #980 Fix matlab compilation failure
  • 9d6095a [2021-02-18] [matlab] Redirect constructors
  • 7024757 [2021-02-18] [matlab] Fix/remove deprecated function call
• #977 Remove deprecated things slated for removal after Cantera 2.5
  • 643fdea [2021-02-14] Deprecate transitional reactor methods
  • daf7d4d [2021-02-14] Remove deprecated code marked for removal after Cantera 2.5
  • aae64d9 [2021-02-13] [Input] Remove deprecated input files and phase definitions
  • 9ce04ba [2021-02-13] [SCons] Remove deprecated compilation options
  • 2ef2cb0 [2021-02-13] Bump version to 2.6.0a1