mirror of
https://github.com/Cantera/cantera.git
synced 2025-02-25 18:55:29 -06:00
[Doc] Transfer release notes to main docs
This commit is contained in:
@@ -1,6 +1,14 @@
|
||||
# Release Notes
|
||||
|
||||
```{caution}
|
||||
This page is a work in progress. Please see
|
||||
<a href="/documentation/index.html">this page</a> for current documentation.
|
||||
```{toctree}
|
||||
:maxdepth: 1
|
||||
|
||||
v3.0
|
||||
v2.6
|
||||
v2.5
|
||||
v2.4
|
||||
v2.3
|
||||
v2.2
|
||||
v2.1
|
||||
v2.0
|
||||
```
|
||||
|
||||
53
doc/sphinx/reference/releasenotes/v2.0.md
Normal file
53
doc/sphinx/reference/releasenotes/v2.0.md
Normal file
@@ -0,0 +1,53 @@
|
||||
# Cantera 2.0.2
|
||||
|
||||
Published on March 12, 2013 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.0.2)
|
||||
|
||||
Maintenance release fixing issues identified since Cantera 2.0.1.
|
||||
|
||||
## Fixes for regressions introduced in Cantera 2.0.x
|
||||
* Fixed an indexing error in Jacobian evaluation in the 1D solver ([`3baa0eae9`](https://github.com/Cantera/cantera/commit/3baa0eae9))
|
||||
* [Matlab] Fixed error reporting when importing Kinetics ([`6b569fcb2`](https://github.com/Cantera/cantera/commit/6b569fcb2))
|
||||
* Fixed update logic for multicomponent diffusion coefficients ([`dd89ab12b`](https://github.com/Cantera/cantera/commit/dd89ab12b))
|
||||
* [Python] Fixed an error when using a reactor heat flux function ([`83cca43a3`](https://github.com/Cantera/cantera/commit/83cca43a3))
|
||||
|
||||
## Fixes related to new features introduced in Cantera 2.0
|
||||
* Updated libraries referenced by pkg-config ([`53891d0b2`](https://github.com/Cantera/cantera/commit/53891d0b2))([`180d5c481`](https://github.com/Cantera/cantera/commit/180d5c481))
|
||||
* Fixed an incorrect bounds check in clib ([`544b638eb`](https://github.com/Cantera/cantera/commit/544b638eb))
|
||||
* Fixed a bug when building without numpy ([`d75b394f6`](https://github.com/Cantera/cantera/commit/d75b394f6))
|
||||
* Fixed parsing duplicate reactions with explicit reverse rate constants ([`0b4af9ac0`](https://github.com/Cantera/cantera/commit/0b4af9ac0))
|
||||
|
||||
## Fixes for bugs existing prior to Cantera 2.0
|
||||
* [Matlab] Corrected error message in `setState_SP` ([`54e4b17aa`](https://github.com/Cantera/cantera/commit/54e4b17aa))
|
||||
* [1D] Resize `StFlow::m_dthermal` after grid refinement ([`c4e62b72e`](https://github.com/Cantera/cantera/commit/c4e62b72e))
|
||||
* [1D] Fixed calculation of diffusion flux due to Soret effect ([`5b423847f`](https://github.com/Cantera/cantera/commit/5b423847f))
|
||||
* [1D] Fixed an uninitialized variable in `Domain1D` ([`b6a362209`](https://github.com/Cantera/cantera/commit/b6a362209))
|
||||
* [1D] Fixed a case where the Newton solver could get stuck ([`80f3c9d24`](https://github.com/Cantera/cantera/commit/80f3c9d24))
|
||||
* Use qualified names in `RxnRates.h` ([`7a4be4dcf`](https://github.com/Cantera/cantera/commit/7a4be4dcf))
|
||||
* Fixed crashes when reaction mechanism contains no reactions ([`a25c1a43b`](https://github.com/Cantera/cantera/commit/a25c1a43b))
|
||||
* Ensure that equilibrium constants are not zero ([`8847b5aba`](https://github.com/Cantera/cantera/commit/8847b5aba))
|
||||
* Allow `GasKinetics` to more easily support derived classes ([`2dfc55192`](https://github.com/Cantera/cantera/commit/2dfc55192))
|
||||
|
||||
# Cantera 2.0.1
|
||||
|
||||
Published on November 18, 2012 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.0.1)
|
||||
|
||||
Maintenance release fixing issues identified since Cantera 2.0.0.
|
||||
|
||||
## Fixes for regressions introduced in Cantera 2.0
|
||||
- Coverage dependencies were being ignored ([`f27aac85`](https://github.com/Cantera/cantera/commit/f27aac85997e397bd2ae4a9d37d19cfa39876725))
|
||||
- Correctly handle rate coefficient units when converting Chemkin input files ([`b26f9f4e`](https://github.com/Cantera/cantera/commit/b26f9f4ee24fe2a8d823a2fde79aae3b33782253), [`7ef2bb13`](https://github.com/Cantera/cantera/commit/7ef2bb13e596691cbd1104d7e26c9fcee053c865))
|
||||
|
||||
## Fixes related to new features introduced in Cantera 2.0
|
||||
- Validate p-log rate expressions ([`67395c84`](https://github.com/Cantera/cantera/commit/67395c84383c1b96b6d1743fadf3d4ab129e1598), [`16462628`](https://github.com/Cantera/cantera/commit/16462628a79ce229801d4991f35cf7d5be9b36c5))
|
||||
- [SCons] Fix order of include / library directories passed to compiler ([`c092bbae`](https://github.com/Cantera/cantera/commit/c092bbaede6b93b03bd281d86a7cb972992665ed))
|
||||
- [Scons] OS X does not need `blas_lapack_libs` ([`ead04df7`](https://github.com/Cantera/cantera/commit/ead04df7412034f2b5dffd9b9806b4fa31eca229))
|
||||
- [SCons] fixed handling of the `FRAMEWORKS` variable ([`71156434`](https://github.com/Cantera/cantera/commit/71156434f87cf5af35bb34d11e8ea7e378b6830f))
|
||||
|
||||
## Fixes for bugs existing prior to Cantera 2.0
|
||||
- [Python] Fixed an error when setting `FlowReactor` mass flow rate ([`1c5f7c3e`](https://github.com/Cantera/cantera/commit/1c5f7c3ed76d31412782aafb9f7d672dcc96677e))
|
||||
- Fixed handling of falloff reactions with specific third bodies ([`1de94e0e`](https://github.com/Cantera/cantera/commit/1de94e0ee12dc5d95e3a904638e2abad239bb921))
|
||||
- Fixed a sign error in `isothermalCompressibility` for ideal phases ([`86e7723c`](https://github.com/Cantera/cantera/commit/86e7723c264104a27e2334ab6de170227180803c))
|
||||
- Ignore third body efficiencies for missing species in `ohn.cti` ([`3116653f`](https://github.com/Cantera/cantera/commit/3116653f2f0b7f41a319a688f736f63f121003aa))
|
||||
- Fixed handling of explicit reaction orders for certain reactions ([`01a9bdcf`](https://github.com/Cantera/cantera/commit/01a9bdcf58438bbfb04330b48a2d2528a21c5372))
|
||||
- Fixed correspondence of reactor types to integer constants used in `newReactor` ([`353fb38b`](https://github.com/Cantera/cantera/commit/353fb38b110f8c31d3ed5c2c1a9cda2beb1609dc), [`dec9c269`](https://github.com/Cantera/cantera/commit/dec9c269a1cbddef08f2024889cc7d2375bc7e75))
|
||||
- Fixed a convergence failure in the VCS equilibrium solver ([`a6dc9944`](https://github.com/Cantera/cantera/commit/a6dc994439d00c038e1d5d511f67285c46606deb), [`ba7725fb`](https://github.com/Cantera/cantera/commit/ba7725fb5bc2bef69cd1927ec0c1bbc763cb103f))
|
||||
29
doc/sphinx/reference/releasenotes/v2.1.md
Normal file
29
doc/sphinx/reference/releasenotes/v2.1.md
Normal file
@@ -0,0 +1,29 @@
|
||||
# Cantera 2.1.2
|
||||
|
||||
Published on September 17, 2014 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.1.2)
|
||||
|
||||
- Maintenance release fixing issues identified in Cantera 2.1.1.
|
||||
- Now includes binaries for Python 3.4.
|
||||
|
||||
# Cantera 2.1.1
|
||||
|
||||
Published on February 23, 2014 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.1.1)
|
||||
|
||||
- Maintenance release fixing issues identified since Cantera 2.1.0.
|
||||
|
||||
# Cantera 2.1.0
|
||||
|
||||
Published on October 23, 2013 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.1.0)
|
||||
|
||||
Some of the major improvements since the release of Cantera 2.0 are:
|
||||
|
||||
- A new Cython-based Python interface, with a streamlined API and support for Python 3.2 and higher (as well as Python 2.6 and 2.7)
|
||||
- Reformulation of reactor governing equations to improve performance and robustness, especially for larger mechanisms, including the addition of reactor types specifically optimized for ideal gases
|
||||
- Improved support for reactor network sensitivity analysis
|
||||
- Support for "chemically activated" reaction rate parameterizations
|
||||
- Better support for importing "Chemkin"-format mechanisms using ck2cti.py
|
||||
- Numerous improvements to performance and robustness of the 1D solver
|
||||
- More comprehensive save/restore feature for 1D simulations
|
||||
- Test suite coverage of the 1D flame module
|
||||
- Support for compilation using Visual Studio 2012
|
||||
- Extensive clean-up of Doxygen documentation
|
||||
31
doc/sphinx/reference/releasenotes/v2.2.md
Normal file
31
doc/sphinx/reference/releasenotes/v2.2.md
Normal file
@@ -0,0 +1,31 @@
|
||||
# Cantera 2.2.1
|
||||
|
||||
Published on January 26, 2016 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.2.1)
|
||||
|
||||
- Maintenance release fixing issues identified since Cantera 2.2.0.
|
||||
- Now includes Windows binaries for Python 3.5.
|
||||
|
||||
# Cantera 2.2.0
|
||||
|
||||
Published on June 5, 2015 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.2.0)
|
||||
|
||||
New major version. Highlights include:
|
||||
|
||||
- Reformulated multicomponent diffusion calculation to improve 1D solver convergence.
|
||||
- Introduction of `Species` and `Reaction` classes which can be used to construct and modify `ThermoPhase` / `Kinetics` objects on-the-fly, without necessarily using CTI/XML input files. See the new examples [`extract_submechanism.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/kinetics_extract_submechanism.html) and [`mechanism_reduction.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/kinetics_mechanism_reduction.html).
|
||||
- Better handling of CTI and XML files: Parsed CTI and XML files are cached based on modification time and file content, and implicit conversions are done without generating `.xml` files. Phases can be imported directly from XML or CTI strings. Both CTI and XML files can import species and reactions from other CTI or XML files.
|
||||
- Enable re-initialization of reactor networks, which improves efficiency for integration with CFD-like codes - see the example [`surf_pfr.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/reactors_surf_pfr.html).
|
||||
- Introduction of a simple radiation model for flames (optically thin, gray gas for CO2 and H2O) - see the example [`diffusion_flame.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/onedim_diffusion_flame.html).
|
||||
- Efficient sensitivity analysis of 1D flame solutions (see [`flamespeed_sensitivity.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/onedim_flamespeed_sensitivity.html)).
|
||||
- Added strain rate calculations for diffusion flames (see [`diffusion_flame_extinction.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/onedim_diffusion_flame_extinction.html) and [`diffusion_flame_batch.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/onedim_diffusion_flame_batch.html)).
|
||||
- Added premixed counterflow flame configuration to Python module (see [`premixed_counterflow_flame.py`](https://cantera.org/documentation/docs-2.2/sphinx/html/cython/examples/onedim_premixed_counterflow_flame.html)).
|
||||
- Allow Sundials to link to external (optimized) BLAS/LAPACK libraries.
|
||||
- Support for Sundials 2.6.
|
||||
- Updated Matlab toolbox documentation, which is included in the [online HTML documentation](https://cantera.org/documentation/docs-2.2/sphinx/html/matlab/index.html).
|
||||
|
||||
## Downloads available
|
||||
|
||||
- Source code (all platforms) - Download `cantera-2.2.0.tar.gz` from GitHub, and see the [compilation guide](https://cantera.org/documentation/docs-2.2/sphinx/html/compiling.html).
|
||||
- Windows MSI installers for x86 and x64 systems, including Python modules for Python 2.7, 3.3, and 3.4. See [installation instructions](https://cantera.org/documentation/docs-2.2/sphinx/html/install.html#windows) for details.
|
||||
- Ubuntu packages for Trusty (14.04 LTS), Utopic, and Vivid via a Launchpad PPA; see [installation instructions](https://cantera.org/documentation/docs-2.2/sphinx/html/install.html#ubuntu)
|
||||
- OS X Homebrew formula; see [installation instructions](https://cantera.org/documentation/docs-2.2/sphinx/html/install.html#mac-os-x)
|
||||
44
doc/sphinx/reference/releasenotes/v2.3.md
Normal file
44
doc/sphinx/reference/releasenotes/v2.3.md
Normal file
@@ -0,0 +1,44 @@
|
||||
# Cantera 2.3.0
|
||||
|
||||
Published on January 19, 2017 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.3.0)
|
||||
|
||||
## Installation Options
|
||||
|
||||
- Conda / anaconda packages for Windows, Linux, and macOS via the `cantera` channel. See [installation instructions](https://cantera.org/documentation/docs-2.3/sphinx/html/install.html) for more details.
|
||||
- Windows binary installers (downloads below; To use the Matlab toolbox on Windows, install both `Cantera-2.3.0-x64.msi` and one of the Python modules. The Python installers are standalone and do not require the base Cantera package. Installers are available Python 2.7, Python 3.4, Python 3.5, and Python 3.6. See [detailed instructions](https://cantera.org/documentation/docs-2.3/sphinx/html/install.html#windows) for more.
|
||||
- Ubuntu packages for 16.04 (Xenial Xerus) and 16.10 (Yakkety Yak) are available via the PPA at https://launchpad.net/~speth/+archive/ubuntu/cantera. Additional details available [here](https://cantera.org/documentation/docs-2.3/sphinx/html/install.html#ubuntu).
|
||||
- Homebrew formula for macOS. See [additonal instructions](https://cantera.org/documentation/docs-2.3/sphinx/html/install.html#homebrew).
|
||||
- Download and compile the source code. Full instructions [here](https://cantera.org/documentation/docs-2.3/sphinx/html/compiling/index.html).
|
||||
|
||||
## Documentation
|
||||
|
||||
Documentation for Cantera 2.3.0 can be found at <https://cantera.org/documentation/docs-2.3/sphinx/html/index.html>.
|
||||
|
||||
## Changes in Cantera 2.3.0
|
||||
|
||||
Highlights are listed here. See the [full changelog](https://github.com/Cantera/cantera/pull/399#issuecomment-263736973) for more.
|
||||
|
||||
- Add ability to modify species data for existing Phase objects
|
||||
- Make species names case-preserving instead of case-sensitive, and allow colons in species names
|
||||
- Add option for Motz & Wise correction to sticking reactions
|
||||
- Implement enthalpy of formation sensitivity analysis for reactor networks
|
||||
- Implement the Cython function `advance_to_steady_state` for reactor networks
|
||||
- Eliminate most known 1D flame solver failures by improving Jacobian evaluation, and using better default initial grids and initial guesses
|
||||
- Introduce 'auto' option to `Sim1D.solve` to automatically try multiple initial grids
|
||||
- Generalize initial profile generation for diffusion flames for arbitrary fuel/oxidizer combinations
|
||||
- Add general support for calculating adjoint sensitivities for 1D flames
|
||||
- Add a Twin Premixed Counterflow Flame class and example
|
||||
- Support conversion of surface mechanism files
|
||||
- Provide better error message for problematic reaction and thermo entries when converting input files
|
||||
- Add 'nonreactant_orders' option to allow non-reactant orders
|
||||
- Allow adding species / reactions from Python
|
||||
- Add new classes `Quantity` and `SolutionArray` to Python
|
||||
- Make Python test suite runnable from an installed copy of the Python module
|
||||
- Introduced Continuous Integration testing using Travis CI and AppVeyor
|
||||
- Use Git submodules for Sundials, Eigen, Google Test, and libfmt if system versions are not installed
|
||||
- Use Sundials and Eigen to eliminate the need for bundled LAPACK
|
||||
- Added Conda build recipe and made binaries available through anaconda.org
|
||||
- Add support for Sundials 2.7
|
||||
- Deprecate unused classes, functions, arguments, and constants (see <https://cantera.org/documentation/docs-2.3/doxygen/html/deprecated.html> for details)
|
||||
- Add notices to documentation for classes with no tests or examples (see https://github.com/Cantera/cantera/issues/267)
|
||||
- Make clib usable as a pure C (not C++) interface and add tests
|
||||
249
doc/sphinx/reference/releasenotes/v2.4.md
Normal file
249
doc/sphinx/reference/releasenotes/v2.4.md
Normal file
@@ -0,0 +1,249 @@
|
||||
# Cantera 2.4.0
|
||||
|
||||
Published on August 24, 2018 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.4.0)
|
||||
|
||||
Cantera 2.4.0 includes [more than 380 commits](https://github.com/Cantera/cantera/compare/v2.3.0...v2.4.0) to the code since 2.3.0, merges more than [70 pull requests](https://github.com/Cantera/cantera/pulls?utf8=%E2%9C%93&q=is%3Apr+is%3Aclosed+updated%3A%3E%3D2017-01-18+), and [closes almost 60 issues](https://github.com/Cantera/cantera/issues?page=1&q=is%3Aissue+is%3Aclosed+updated%3A%3E%3D2017-01-18&utf8=%E2%9C%93). In this release, we improved the maintainability of Cantera by removing [or deprecating](https://cantera.org/documentation/docs-2.4/doxygen/html/da/d58/deprecated.html) old, untested code, moving the website and Mixmaster to separate repositories, and automating more of the build/testing process. We also added new features to the 1-D reactor code (among other areas), including adding an ionized gas transport class and the `IonFlow` and `BurnerIonFlame` classes, providing better accessing to callbacks during 1-D solutions, and automatically detecting certain common failure conditions of the 1-D solver. This release of Cantera was made possible by contributions from 14 developers: [@speth](https://github.com/speth), [@bryanwweber](https://github.com/bryanwweber), [@BangShiuh](https://github.com/BangShiuh), [@decaluwe](https://github.com/decaluwe), [@wandadars](https://github.com/wandadars), [@jsantner](https://github.com/jsantner), [@arghdos](https://github.com/arghdos), [@rwest](https://github.com/rwest), [@g3bk47](https://github.com/g3bk47), [@awehrfritz](https://github.com/awehrfritz), [@band-a-prend](https://github.com/band-a-prend), [@vdevgan](https://github.com/vdevgan), [@KyleLinevitchJr](https://github.com/KyleLinevitchJr), and [@MarcDuQuesne](https://github.com/MarcDuQuesne).
|
||||
|
||||
For installation and compilation instructions for Cantera 2.4.0, please see the directions on the [Cantera website](https://cantera.org/install/index.html). In addition to Conda packages, Windows installers, and Ubuntu packages, this release also features the addition of a pre-compiled Matlab toolbox for macOS users, replacing Homebrew as the prefered method of installing Cantera for Matlab on macOS.
|
||||
|
||||
Thanks to a small development grant from NumFOCUS (see more about NumFOCUS below), [@bryanwweber](https://github.com/bryanwweber) and [@decaluwe](https://github.com/decaluwe) reorganized and restyled the [Cantera website](https://cantera.org). The website has moved to a [separate repository](https://github.com/Cantera/cantera-website), allowing the website content to be updated without modifications to the main Cantera source code. We also tried to make it easy for all of our users to find what they're looking for quickly, from installation instructions and tutorials for beginners, to advanced examples and API documentation for experienced Cantera programmers. The new website also redirects all traffic to HTTPS, ensuring a secure experience for everyone.
|
||||
|
||||
Cantera is now officially part of NumFOCUS. NumFOCUS is a 501(c)3 nonprofit dedicated to supporting the open source scientific computing community. If you are interested in learning more about NumFOCUS, please visit their website at <https://numfocus.org>, or our website at <https://cantera.org/community.html#donations>.
|
||||
|
||||
Cantera 2.4.0 is the last release that will be compatible with Python 2.7. Support for Python 2.7 from the Python Software Foundation will [end January 1, 2020](https://www.python.org/dev/peps/pep-0373/#maintenance-releases). Given the recent release cadence of Cantera, the next major version of Cantera will probably be released very close to that date, so we have made the decision to drop Python 2.7 support for Cantera 2.5.0 and higher.
|
||||
|
||||
One notable change to the build requirements for Cantera 2.4.0 is that SCons 3.0.0 or higher must be used to compile the source code. This means that either Python 2 or Python 3 can be used to run SCons. In addition, there are now three options to handle building the Python interface, depending on whether the user wants to build for Python 2 or Python 3. Please check the documentation or run `scons help` for more information.
|
||||
|
||||
## Summary of changes in Cantera 2.4.0
|
||||
|
||||
### Bugs fixed
|
||||
|
||||
- Fix inconsistencies and bugs in several `ThermoPhase` derived classes, including `PDSS_IdealGas`, `IonsFromNeutralVPSSTP`, `PDSS_IonsFromNeutral`, `PDSS_HKFT`, `LatticePhase`, `PDSS_SSVol`, `ConstDensityThermo`, and `PureFluidPhase`
|
||||
- Preserve constant property pair when multiplying `Quantity` objects
|
||||
- Fix using pure fluids in reactors
|
||||
- Add temperature dependence of rotational relaxation in transport calculations
|
||||
- Disable linking to external SUNDIALS libraries when building the Matlab toolbox
|
||||
|
||||
### Changes to existing capabilities
|
||||
|
||||
- Allow instantiation of `ThermoPhase` derived classes without XML
|
||||
- `set_equivalence_ratio` now supports sulfur oxidation
|
||||
- Make all complex object types (`ThermoPhase`, `Kinetics`, `Transport`, `Reactor`, `Domain1D`, etc.) objects non-copyable
|
||||
- Deprecate `FreeFlow` and `AxiStagnFlow` classes by moving the relevant functions into the `StFlow` class
|
||||
- Allow `convertMech` function to be called multiple times
|
||||
- Remove the requirement for users to have Boost headers installed when building against the Cantera library
|
||||
- Change the options to build the Python interface, since SCons can be run by Python 3
|
||||
- Update GTest, fmtlib, SUNDIALS, and Eigen submodule versions
|
||||
|
||||
### Additions
|
||||
|
||||
- Add ion gas transport model, and `IonFlow` and `BurnerIonFlame` flame classes
|
||||
- Add C++ OpenMP, Non-Ideal Shock Tube, PSR/WSR, and time-dependent mass flow rate examples
|
||||
- Add class `AnyMap`
|
||||
- Allow negative reaction orders
|
||||
- Add unity Lewis number transport model
|
||||
- Add electron to the built-in elements
|
||||
- Add `get_equivalence_ratio` function
|
||||
|
||||
## Full Changelog
|
||||
|
||||
### Bugs fixed
|
||||
|
||||
#### Thermo/Species/Elements
|
||||
- Fix issues parsing composition strings with mixtures of commas, colons, and spaces ([`3f6f580b`](https://github.com/Cantera/cantera/commit/[`3f6f580b`](https://github.com/Cantera/cantera/commit/3f6f580b25602ebb442769cca1ecf8f5d6818185)))
|
||||
- Fix setting mass/mole fractions of phases with only a single species ([`ed8de04e`](https://github.com/Cantera/cantera/commit/ed8de04e5b9a490b057d38fa8538c6091bfca92b))
|
||||
- Fix reference state calculations ([`38d291c6`](https://github.com/Cantera/cantera/commit/38d291c683046e41c4c40b194c27c9fef68be8b8), [`7b529ac2`](https://github.com/Cantera/cantera/commit/7b529ac2d6a1332f852edeb31498c7ee5b2a88fb))
|
||||
- Fix test failures due to inconsistent species addition order ([`11a0727d`](https://github.com/Cantera/cantera/commit/11a0727d5ca6172fcb3596dbc11e7f7b1cc2e806), [#433](https://github.com/Cantera/cantera/pull/433))
|
||||
- Fix errors in entropy calculation in `PDSS_IdealGas` ([`dfb32f0c`](https://github.com/Cantera/cantera/commit/dfb32f0c7ec0e5f037cb1879a73fcb926c8a401a))
|
||||
- Fix and test creation of `IonsFromNeutralVPSSTP` objects ([`3a119381`](https://github.com/Cantera/cantera/commit/3a119381e81778d67a9ec83e6981d0050c620300))
|
||||
- Fix inconsistencies in `PDSS_IonsFromNeutral` ([`ff46dc93`](https://github.com/Cantera/cantera/commit/ff46dc93b514d646cccf359e807cfb57ad68a460))
|
||||
- Fix `PDSS_HKFT` initialization when only one property is given ([`2c3512c2`](https://github.com/Cantera/cantera/commit/2c3512c22a688ab8daecea751add0410e626fa5d))
|
||||
- Fix default molar volume in `LatticePhase` ([`f3ba29f0`](https://github.com/Cantera/cantera/commit/f3ba29f0bcfacc85cfd069d83626f46dcb0421c6))
|
||||
- Setting the composition with an empty array raises an exception ([`8a4142d4`](https://github.com/Cantera/cantera/commit/8a4142d4bc33de089220b1e26282500c6ce2d02b))
|
||||
- Fix implementation and documentation of `PDSS_SSVol` ([`ee663c9b`](https://github.com/Cantera/cantera/commit/ee663c9b3772be84f740a3b36dff44983b79f7a6), [`a19b2bd4`](https://github.com/Cantera/cantera/commit/a19b2bd4ccdc9e687c84f4769e0c3cbc64a87fa3), [`286217d1`](https://github.com/Cantera/cantera/commit/286217d1d3d0af78e5d61353ba8e8621a9636e36), [`be8e51d2`](https://github.com/Cantera/cantera/commit/be8e51d2177740741b54241defab4726e687b67c))
|
||||
- Fix definition of `ConstDensityThermo::standardConcentration` ([`89fded32`](https://github.com/Cantera/cantera/commit/89fded32d46084bd7733c81c7d1b383922e433a1), [#458](https://github.com/Cantera/cantera/pull/458), [#490](https://github.com/Cantera/cantera/pull/490))
|
||||
- Preserve constant property pair when multiplying `Quantity` objects ([`c9b0bce8`](https://github.com/Cantera/cantera/commit/c9b0bce8b99000099763aedb088dddb80f7047a1))
|
||||
- Fix `PureFluidPhase` state data consistency ([`fb68cae1`](https://github.com/Cantera/cantera/commit/fb68cae145d28556e4d7cc58ffc1ec871e0b0be4), [`0417d31d`](https://github.com/Cantera/cantera/commit/0417d31d0ecabd77d5b4fc24900ff0c2bc0620dd))
|
||||
|
||||
#### Kinetics
|
||||
- Validate balance of surface sites for interface reactions ([`ac533713`](https://github.com/Cantera/cantera/commit/ac5337130a8d21728026f04155c0c85ad2ea0c5e), [#412](https://github.com/Cantera/cantera/pull/412))
|
||||
- Reactions which are declared as duplicate but do not have the corresponding duplicate reaction are errors ([`0fd2f7c4`](https://github.com/Cantera/cantera/commit/0fd2f7c4d0ba7de2c471ae57053421b8d8fbb029), [`2678b57d`](https://github.com/Cantera/cantera/commit/2678b57d587d39110325a07adcfa156424a0f326), [#389](https://github.com/Cantera/cantera/pull/389))
|
||||
- Fix use of `'scale'` and `'OneWayFlow'` options in `ReactonPathDiagram`s ([`0d982c8f`](https://github.com/Cantera/cantera/commit/0d982c8f582e08f0e77eff49f51f870b249d333f), [`0249ce89`](https://github.com/Cantera/cantera/commit/0249ce89b86b11d524525d2b265de857b3fe8ecf), [#378](https://github.com/Cantera/cantera/pull/378), [#424](https://github.com/Cantera/cantera/pull/424))
|
||||
- Fix how species contributions to reaction paths are handled ([`3093e6e6`](https://github.com/Cantera/cantera/commit/3093e6e6d4d8960838492cb3848e0881420dc7b4), [`5a0fb579`](https://github.com/Cantera/cantera/commit/5a0fb579a83c3081033421ef6363e6b31e901a0e), [`092e0074`](https://github.com/Cantera/cantera/commit/092e00744bc6afc96bd14c130ea7162bfa9aa3d9), [#377](https://github.com/Cantera/cantera/pull/377), [#424](https://github.com/Cantera/cantera/pull/424))
|
||||
- Preserve pressure units in `PLOG` reactions when converting from Chemkin to CTI format ([`7b7aea20`](https://github.com/Cantera/cantera/commit/7b7aea2038ecfad88af0919bf4104ac2a87b70e7), [`a02753ae`](https://github.com/Cantera/cantera/commit/a02753ae792a71b4eda2028d4ea73d054ad5a4b4), [#435](https://github.com/Cantera/cantera/pull/435))
|
||||
- Fix style arguments for reaction path diagrams ([`b41038f8`](https://github.com/Cantera/cantera/commit/b41038f84b705102900e56a7cdbdc141670be4af), [#463](https://github.com/Cantera/cantera/pull/463))
|
||||
- Fix duplicate reaction checking ([`513b4320`](https://github.com/Cantera/cantera/commit/513b43200c7b222d9ef992e00b922ef210961ad6), [`4c489c17`](https://github.com/Cantera/cantera/commit/4c489c175da4d2979a974b748a97a179f475508f), [#468](https://github.com/Cantera/cantera/pull/468))
|
||||
- Fix failures due to tolerances in some kinetics tests ([`67aa9eb4`](https://github.com/Cantera/cantera/commit/67aa9eb4e3663f5507e0e6ec25b54bf74f4782c3))
|
||||
|
||||
#### Transport
|
||||
- Fixes to enable `CK_mix` and `CK_multi` mode flags ([`35aa8be6`](https://github.com/Cantera/cantera/commit/35aa8be61e8e68907c4d4cff7c625907094c22c0), [`435f2864`](https://github.com/Cantera/cantera/commit/435f28641ec81ae53aaa8851ee9fe351b5da08b3), [`1b605133`](https://github.com/Cantera/cantera/commit/1b605133d8cb1c77b0348a9984c4b8fc64f55c2a))
|
||||
- Add temperature dependence of rotational relaxation ([`e79cf6f8`](https://github.com/Cantera/cantera/commit/e79cf6f8cb59c8f8c3d994c71316e12e966140a0), [#547](https://github.com/Cantera/cantera/pull/547))
|
||||
|
||||
#### 0-D Reactors
|
||||
- Fix using pure fluids in reactors ([`2ac8a0ef`](https://github.com/Cantera/cantera/commit/2ac8a0ef088166883ee1639ba12bd13462169e6e), [`deeaaed0`](https://github.com/Cantera/cantera/commit/deeaaed03f619e936b10e908bf9835e58dc10da7), [#475](https://github.com/Cantera/cantera/pull/475), [#487](https://github.com/Cantera/cantera/pull/487))
|
||||
- Check that contents are Solution objects not Mixtures ([`a22db9fa`](https://github.com/Cantera/cantera/commit/a22db9fa22572df3be9446875607455cd3361d9e))
|
||||
|
||||
#### 1-D Flames
|
||||
- Fix handling of domain boundary conditions when the energy equation is not solved ([`52dbe8c0`](https://github.com/Cantera/cantera/commit/52dbe8c007921769287127701017599e37460598))
|
||||
- Fix handling of Soret diffusion enabling/disabling with respect to mixture-averaged diffusion approximation ([`a03afbd5`](https://github.com/Cantera/cantera/commit/a03afbd56ee3b51f203a1ee9e7c2fa536c66b01d), [`4bd5e926`](https://github.com/Cantera/cantera/commit/4bd5e92694f4ecf7dee5fdc5f48db21ea3d0b598), [`fde50511`](https://github.com/Cantera/cantera/commit/fde505113166473b1d5ad3cd61f6aed5dd7b9d4f), [#511](https://github.com/Cantera/cantera/pull/511))
|
||||
|
||||
#### CTI/Input files
|
||||
- Fix file size limit when converting CTI to CTML ([`0a1257da`](https://github.com/Cantera/cantera/commit/0a1257daed71fdd621ac25bcdeea911d84036bfd), [#416](https://github.com/Cantera/cantera/pull/416), [#430](https://github.com/Cantera/cantera/pull/430))
|
||||
- Fix for reactions with pathologically named third bodies ([`55a89106`](https://github.com/Cantera/cantera/commit/55a8910686d15071f300b2c2cec38812514f8ef6), [`6d591b82`](https://github.com/Cantera/cantera/commit/6d591b82efc9b8909ffaa6fe7e70812bdd8c9135), [`44b24ca8`](https://github.com/Cantera/cantera/commit/44b24ca873b55085770563cd4f0b63a5c712412e), [#460](https://github.com/Cantera/cantera/pull/460))
|
||||
- `ctml_writer` is more tolerant of non-ASCII characters ([`0c0a38d4`](https://github.com/Cantera/cantera/commit/0c0a38d4fe6465fde3f51f73ed6bf8fe47c9fd79))
|
||||
- Fix incorrect entry in `nasathermo.dat` ([`3933a943`](https://github.com/Cantera/cantera/commit/3933a943dc6fa712fa8a5c920435b28d8e563353), [#491](https://github.com/Cantera/cantera/pull/491))
|
||||
- Fix writing surface reactions to the CTI file when there are no gas-phase reactions ([`552ba97a`](https://github.com/Cantera/cantera/commit/552ba97a2b3e050c9564fdaaf830fe41f73430d8))
|
||||
- Fix over-zealous detection of new input file sections ([`f47e98a5`](https://github.com/Cantera/cantera/commit/f47e98a594a5b43b8b41b38eaea49eca8f30406c))
|
||||
- Detect badly-formatted values of the 4th Troe coefficient ([`bde6e054`](https://github.com/Cantera/cantera/commit/bde6e0545293eb8a530174af6fbba34e4f2430de))
|
||||
- Suppress some output when `quiet=True` ([`70016b97`](https://github.com/Cantera/cantera/commit/70016b97b3a9a1ec042f35394752891168321030))
|
||||
- Fix duplicate key check in parseCompString ([`d0916171`](https://github.com/Cantera/cantera/commit/d09161716f2da9160dc7f08f017bfe57c546de84), [#525](https://github.com/Cantera/cantera/pull/525))
|
||||
- Fix spurious unexpected output warnings ([`fd57936b`](https://github.com/Cantera/cantera/commit/fd57936b18a9bcebcffbe25316b23fe9123da18f))
|
||||
|
||||
#### Examples
|
||||
- Fix errors and empty figures in IC engine example ([`6f564e61`](https://github.com/Cantera/cantera/commit/6f564e6101541b5368b64b64e96eac4b64f366c7), [`0d01d031`](https://github.com/Cantera/cantera/commit/0d01d031a9551bf8252a7f7f2cb769c276ab3fe8))
|
||||
- Remove extraneous arguments in Matlab example scripts ([`a31b7d1b`](https://github.com/Cantera/cantera/commit/a31b7d1bb5be876729e4e7728a78f417cdf1b3dd))
|
||||
- Remove or fix broken Matlab examples ([`536158b4`](https://github.com/Cantera/cantera/commit/536158b402893d14930d1da579c72d545dc72943), [`987a247b`](https://github.com/Cantera/cantera/commit/987a247bd0d7b626e972c974faf78576a48b6552))
|
||||
|
||||
#### Other
|
||||
- Add explicit dependencies on the `scons build` step for `scons test` and `scons install` ([`70e10632`](https://github.com/Cantera/cantera/commit/70e10632d4a451dec7e0f94ab2e09156b1a6848b), [#432](https://github.com/Cantera/cantera/pull/432))
|
||||
- Fix reproducibility of `add_species_sequential` test ([`11a0727d`](https://github.com/Cantera/cantera/commit/11a0727d5ca6172fcb3596dbc11e7f7b1cc2e806), [#433](https://github.com/Cantera/cantera/pull/433))
|
||||
- Disable linking to external SUNDIALS libraries when building the Matlab toolbox ([`c125878a`](https://github.com/Cantera/cantera/commit/c125878a40f1395149c8e9a713aba90a0cb7cc44), [#431](https://github.com/Cantera/cantera/pull/431), [#456](https://github.com/Cantera/cantera/pull/456))
|
||||
- Switch SourceForge links in the docs to point to GitHub ([`d920f2eb`](https://github.com/Cantera/cantera/commit/d920f2eb2cd7296086412746fd5e1e50ca2cd8a9), [#442](https://github.com/Cantera/cantera/pull/442), [#455](https://github.com/Cantera/cantera/pull/455))
|
||||
- Fix typos in documentation ([`05809bb0`](https://github.com/Cantera/cantera/commit/05809bb027a7232badae3dc3eb970695437e19b6), [`fec6c34e`](https://github.com/Cantera/cantera/commit/fec6c34ed8052f0ee4b86e6a3c37769eba917ccc), [`35ac1acf`](https://github.com/Cantera/cantera/commit/35ac1acfa87c4262931ec7acdd62de2629353550), [`af4ccaee`](https://github.com/Cantera/cantera/commit/af4ccaee099486d60c8eadab3fe823cd427b131b), [#449](https://github.com/Cantera/cantera/pull/449))
|
||||
- Easier debugging of NumPy import error messages during build ([`3f69f6ac`](https://github.com/Cantera/cantera/commit/3f69f6ac8a45196e0f0b9244e01fed06c6b0c64e))
|
||||
- Use Trusty Tahr and system Python 3 on TravisCI Linux builds ([`9e5da87a`](https://github.com/Cantera/cantera/commit/9e5da87a2a07455b0c1b063c9494123561ad5c87), [`45891a21`](https://github.com/Cantera/cantera/commit/45891a2118dcd8146a1485741e9b156df271f048))
|
||||
- Fix parallel builds of the Matlab toolbox ([`83123963`](https://github.com/Cantera/cantera/commit/831239633daa7a86f7774c62260c27a0354ab456), [#483](https://github.com/Cantera/cantera/pull/483))
|
||||
- Remove outdated MacPorts installation instructions ([`46f8ef52`](https://github.com/Cantera/cantera/commit/46f8ef52a7c6041e1cb29e68d58cd7dc97ba1d2d), [#496](https://github.com/Cantera/cantera/pull/496))
|
||||
- Fix wrong environment variable `MATLAB_PATH` -> `MATLABPATH` ([`d86a7c17`](https://github.com/Cantera/cantera/commit/d86a7c176e7bf35617728a1b2771ae673f67f351), [#501](https://github.com/Cantera/cantera/pull/501))
|
||||
- Fix broken links in README, clarify PR template, add Gitter, add badges ([`e052a44e`](https://github.com/Cantera/cantera/commit/e052a44e92b1492d5515f1b759f8f2fb7d6ffa13), [`8de267f2`](https://github.com/Cantera/cantera/commit/8de267f25c9cbb58527445838ebcdc72932156bb), [`de3ec3d5`](https://github.com/Cantera/cantera/commit/de3ec3d53e3645f24ae0353d3edc83a122e4ccb4), [`0120f2fc`](https://github.com/Cantera/cantera/commit/0120f2fc5e2d431171476703cb2957960445f873), [#505](https://github.com/Cantera/cantera/pull/505), [#506](https://github.com/Cantera/cantera/pull/506), [#513](https://github.com/Cantera/cantera/pull/513))
|
||||
- Fix installing dependencies on Appveyor ([`39c41035`](https://github.com/Cantera/cantera/commit/39c4103504635cb620ba6e4997ce657a4ea546e9), [`0b8f0283`](https://github.com/Cantera/cantera/commit/0b8f0283aacbb12b7f9ab4f9f016be781bd087a6), [`b1a010e3`](https://github.com/Cantera/cantera/commit/b1a010e3a3f464ed0a58c33f8265c43fc73ad8b8), [#517](https://github.com/Cantera/cantera/pull/517), [#529](https://github.com/Cantera/cantera/pull/529))
|
||||
- Add update of git submodules to code checkout instructions ([`66ba4b5b`](https://github.com/Cantera/cantera/commit/66ba4b5b507fd182a35f0b3310d22fe9ee72e51c))
|
||||
- Remove blank documentation page ([`84acdb1a`](https://github.com/Cantera/cantera/commit/84acdb1a300d5d5d943f579b2d03f3f5067b2514), [#518](https://github.com/Cantera/cantera/pull/518))
|
||||
- Fix notation for mixture-averaged diffusion coefficient ([`df6ecb10`](https://github.com/Cantera/cantera/commit/df6ecb101b4617348419eb46786215863bf65bcd))
|
||||
- Fix compiler warning about `m_Faraday_dim` ([`55490de8`](https://github.com/Cantera/cantera/commit/55490de87103563fc40e0645613ac3e69cdd15a6))
|
||||
- Fix catching exceptions when checking git commit during build ([`3fac5f2b`](https://github.com/Cantera/cantera/commit/3fac5f2bc6f9060b1e24ddec12632e905b113f75), [`c8305375`](https://github.com/Cantera/cantera/commit/c8305375efa93df460a9348ca7f6aaecdcadb94f))
|
||||
- Fix display of information from errors in Python callbacks ([`d3f49e74`](https://github.com/Cantera/cantera/commit/d3f49e74cb5a24722aff23db5c8e0dc14becbc07))
|
||||
- Clean the correct folder after building the minimal Python interface ([`ff91457b`](https://github.com/Cantera/cantera/commit/ff91457b5af7ffe2962a15b5609ca95dbf656e30))
|
||||
- Fix building MSI for Python 3.7 module ([`af51a61a`](https://github.com/Cantera/cantera/commit/af51a61ab1be3aca6ac7f7bd7094357ba4ab58db))
|
||||
|
||||
### Changes to existing capabilities
|
||||
|
||||
#### Thermo/Species/Elements
|
||||
- PDSS objects store their own data ([`50ed3f2e`](https://github.com/Cantera/cantera/commit/50ed3f2e7265baf3ae65629ba67edfa68e199f11))
|
||||
- Remove `VPSSMgr` and merge into `VPStandardStateTP` ([`b39537bf`](https://github.com/Cantera/cantera/commit/b39537bfcbdc8f89e607fda8822c3061aa580b7b), [#428](https://github.com/Cantera/cantera/pull/428))
|
||||
- Simplify aqueous phase creation in `VPStandardStateTP` ([`3ea2a6ca`](https://github.com/Cantera/cantera/commit/3ea2a6caf32d31bb06e12ccc4e137a762ec9eec2))
|
||||
- Allow instantiation of `ThermoPhase` derived classes without XML ([`86dca053`](https://github.com/Cantera/cantera/commit/86dca05369189b9b0c32cbe960ac416f0eee7ab1), [`507a3a99`](https://github.com/Cantera/cantera/commit/507a3a9985f2b0237f8d13442d6ac93f37a781d1), [`19c17d14`](https://github.com/Cantera/cantera/commit/19c17d149ba92f9f68415354cb6ac32b7e2c893b), [`db1f1af0`](https://github.com/Cantera/cantera/commit/db1f1af0a0c376747591ccdb0c77cd6487727c65), [`5efea129`](https://github.com/Cantera/cantera/commit/5efea129599cfdb7a4d7f580c145db95dde15b9c), [`3c771ded`](https://github.com/Cantera/cantera/commit/3c771ded2bf184b4cffb362127fd77ba35390da4), [`b033d44d`](https://github.com/Cantera/cantera/commit/b033d44d3e00a1c4a36cd1a501ff77d34da18bbe), [`31d54c3b`](https://github.com/Cantera/cantera/commit/31d54c3b111b2d01468faa61060d8330969dd043), [`95a52b2d`](https://github.com/Cantera/cantera/commit/95a52b2d34d7bd65e58145e30436c4e88b8b777f), [`f8ef4a8b`](https://github.com/Cantera/cantera/commit/f8ef4a8b2b3efc7392b5cdfd2a378adddf7579b8), [`a6ac4460`](https://github.com/Cantera/cantera/commit/a6ac446021b8a8b3b314f4d8f8dc8bb81ee66ac2), [`bfdc2b9e`](https://github.com/Cantera/cantera/commit/bfdc2b9e1d26d1ce9fad758a453a3f8e5f39829c), [`f69ef446`](https://github.com/Cantera/cantera/commit/f69ef446007ee73ad8c5f527605196b514feca6e), [`d744bd9f`](https://github.com/Cantera/cantera/commit/d744bd9fb8c0cdbfe48b77ef4ae4d39d3cd71647), [`3676672e`](https://github.com/Cantera/cantera/commit/3676672eec57e5e66a9ef7b50a3449bcdd184a3e), [`aa02d242`](https://github.com/Cantera/cantera/commit/aa02d2423583968132a29a980df6cb3a2d818491), [`e3afaf5e`](https://github.com/Cantera/cantera/commit/e3afaf5e6151d85e1c8ff56a3a752fbc3b170955), [`3790115b`](https://github.com/Cantera/cantera/commit/3790115b99ff927212c0e498fd18931cd550c5e9), [`4c630fc5`](https://github.com/Cantera/cantera/commit/4c630fc59211b5ebe878afef99baca7637c81a3f), [`a520f782`](https://github.com/Cantera/cantera/commit/a520f782dbe10ec42db449c5a90ed44b917f004b))
|
||||
- Clean up and test `RedlichKwongMFTP` implementation and remove broken "sanity checks" ([`ecbd819e`](https://github.com/Cantera/cantera/commit/ecbd819e91340ac563ec837bc3347034e69a196f), [`dd521de2`](https://github.com/Cantera/cantera/commit/dd521de25439115e4653389221e844e56c231db3), [`f9d5f16b`](https://github.com/Cantera/cantera/commit/f9d5f16b729bed36009d7ef9ddb4a042f798cfe0), [#267](https://github.com/Cantera/cantera/pull/267), [#436](https://github.com/Cantera/cantera/pull/436), [#438](https://github.com/Cantera/cantera/pull/438))
|
||||
- Move common PDSS functions into the the `PDSS_Nondimensional` class ([`574462fd`](https://github.com/Cantera/cantera/commit/574462fd3c6d6db6c2d785cc2de0ea745010199c))
|
||||
- Remove unused thermodynamics models from `ThermoFactory` ([`6154e1b4`](https://github.com/Cantera/cantera/commit/6154e1b4bd417e98a8c94a195794403d633fbd18))
|
||||
- Deprecate several unused/untested classes. See the [deprecation list](https://cantera.org/documentation/docs-2.4/doxygen/html/da/d58/deprecated.html) for details. ([`2b73fe24`](https://github.com/Cantera/cantera/commit/2b73fe24baa6a10c36dcbc05e4fea2958346da78), [`6d22be2a`](https://github.com/Cantera/cantera/commit/6d22be2a6b282808ad5effa5fd5bd7dca08b0b84), [#267](https://github.com/Cantera/cantera/pull/267))
|
||||
- Remove unimplemented options from `DebyeHuckel` ([`afafa34c`](https://github.com/Cantera/cantera/commit/afafa34c06640037af82ea1682d6d8c74ae84b36))
|
||||
- Charge transfer reactions can be set for `surface_reaction`s, not just `edge_reaction`s ([`51f419fb`](https://github.com/Cantera/cantera/commit/51f419fbadef27d318f249c447400a1618a6d151), [#439](https://github.com/Cantera/cantera/pull/439))
|
||||
- Remove unused members from some thermo classes ([`4818c873`](https://github.com/Cantera/cantera/commit/4818c87344d8d5076ec9dd2808061cdd4a1b38b9), [`6bfd82e0`](https://github.com/Cantera/cantera/commit/6bfd82e0be67a41986c07877ec973a9a97fc0d29), [`90d18dd3`](https://github.com/Cantera/cantera/commit/90d18dd3375c8c87dacecea34e253d5a01d8d8a5), [`c85ba586`](https://github.com/Cantera/cantera/commit/c85ba586d236a27b6aefb8864e3312e5299b0c3a), [`cfc3b728`](https://github.com/Cantera/cantera/commit/cfc3b728f5a7f833c80948d4b6332648882604d6), [`6ca78203`](https://github.com/Cantera/cantera/commit/6ca782030dae74333263d4456e2da7803decdbf7), [`d07908f9`](https://github.com/Cantera/cantera/commit/d07908f9c99e560992098d8ebdb367c6c93dd2a4), [`4b69c7f2`](https://github.com/Cantera/cantera/commit/4b69c7f2654d939204a8b58d8084c70ce3599814), [`572af616`](https://github.com/Cantera/cantera/commit/572af616e7ed767d306fe439c0d7dfaad9e1225b))
|
||||
- Store several class properties as `shared_ptr`s ([`04f10972`](https://github.com/Cantera/cantera/commit/04f10972c8daeda802d600f5104dba59cc7d2b3d), [`4856d132`](https://github.com/Cantera/cantera/commit/4856d1328b9339459725d63a1e76671e15d91052))
|
||||
- Remove debug exception from `Phase::entropyElement298` ([`d4338249`](https://github.com/Cantera/cantera/commit/d4338249fb29d5de9a1154980dcb01d603354cc0), [#467](https://github.com/Cantera/cantera/pull/467))
|
||||
- Explicitly assume that the solvent species is always the first species in the phase ([`e33fe690`](https://github.com/Cantera/cantera/commit/e33fe6904d573ddd141ce5a619a24fb873137746))
|
||||
- Move implementation of `HMWSoln` to a single file ([`e9f08fc5`](https://github.com/Cantera/cantera/commit/e9f08fc58e53b6061df0e75991e2c9d378eafdfd))
|
||||
- Try to look up standard entropy when adding undefined elements ([`0ca788bd`](https://github.com/Cantera/cantera/commit/0ca788bd69cbc7b8a3e4ae319d6668ce6a96b1a8))
|
||||
- Always use `PDSS_ConstVol` for constant volume standard state and remove the implementation from `PDSS_SSVol` ([`822cdc7d`](https://github.com/Cantera/cantera/commit/822cdc7d38b3fd609269f5d7ee8b3ff9e4e1b6cf))
|
||||
- Make adding undefined elements the default behavior ([`d0355575`](https://github.com/Cantera/cantera/commit/d03555753130b9e4a9bfec10d17579fcb2038290))
|
||||
- `set_equivalence_ratio` now supports sulfur oxidation ([`48eaedbb`](https://github.com/Cantera/cantera/commit/48eaedbbb44b25bab9c2938d04e508eaa9e564ec), [`acbd65d1`](https://github.com/Cantera/cantera/commit/acbd65d1922a601ced413a7d43a20540cf8b2944), [`aac8eb92`](https://github.com/Cantera/cantera/commit/aac8eb92afd4191b3581258e0c6ea17348471858), [#474](https://github.com/Cantera/cantera/pull/474))
|
||||
- Relax warning threshold for heat capacity discontinuities ([`a68c048b`](https://github.com/Cantera/cantera/commit/a68c048bfa4e32392bd2faaa6740eaa76d98cacd))
|
||||
|
||||
#### Equilibrium Solvers
|
||||
- Various clean ups, refactoring, and simplifications to the VCS solver ([`ee323bba`](https://github.com/Cantera/cantera/commit/ee323bbafc12926aa0c532047a1de4b550c6d067), [`08726b09`](https://github.com/Cantera/cantera/commit/08726b0904bc40ae182f7706b0172f04d8f4cb2f), [`da801f4c`](https://github.com/Cantera/cantera/commit/da801f4cbcd7c5c070e926a5fb54fbcb81c1c7a2), [`8522095d`](https://github.com/Cantera/cantera/commit/8522095deaacc3659b3195c5a5638bbe5b6aa606), [`bba0d8ed`](https://github.com/Cantera/cantera/commit/bba0d8edf0a96a07ca26c07351eba51216b3682b), [`1eebd3ef`](https://github.com/Cantera/cantera/commit/1eebd3efdbd469556b8a4c3800fc0499424d6513), [`da3ba359`](https://github.com/Cantera/cantera/commit/da3ba35945210644b10aa2900b846a05dd54f80e), [`4e53c893`](https://github.com/Cantera/cantera/commit/4e53c893cfdfa84ddd20868962b1c4e733135891), [`7eb939dc`](https://github.com/Cantera/cantera/commit/7eb939dc5fb79c548f813c7160836d07f24abc26), [`739d4e48`](https://github.com/Cantera/cantera/commit/739d4e483011c940840134a0e84ae2796a5cf473))
|
||||
- Improve control of logging in the `ChemEquil` solver ([`5b4a977d`](https://github.com/Cantera/cantera/commit/5b4a977df7fb3fc7b80363ed84a4a035018e5e27))
|
||||
- Don't use saved element potentials as an initial guess and deprecate getter/setter methods ([`74167cc3`](https://github.com/Cantera/cantera/commit/74167cc3eb81dc63b306c045e2a7b1e86fb5b08b), [`3c978cdf`](https://github.com/Cantera/cantera/commit/3c978cdff6bb950c609b15215eb3d8f608abba96), [#538](https://github.com/Cantera/cantera/pull/538))
|
||||
|
||||
#### Transport
|
||||
- Allow construction of `Transport` derived classes without XML ([`4b5af640`](https://github.com/Cantera/cantera/commit/4b5af640505c686790ba5cf749274fbbaa61cb12), [`7020fa72`](https://github.com/Cantera/cantera/commit/7020fa72bfd7821b46a1b6ae29567e362f940e4f))
|
||||
- Move `simpleTransport` test to GTest suite ([`4934079d`](https://github.com/Cantera/cantera/commit/4934079d69fcbafadf3ac361a9ddf2926c9e051b))
|
||||
|
||||
#### 0-D Reactors
|
||||
- Make all reactor-related objects non-copyable ([`d9418bb8`](https://github.com/Cantera/cantera/commit/d9418bb8fbed2b591ca025a32a8c5c1d5591333b))
|
||||
|
||||
#### 1-D Flames
|
||||
- Make all 1-D-related objects non-copyable ([`279c5c85`](https://github.com/Cantera/cantera/commit/279c5c8556340e8112c78aa9b7d3d39b9e90236b))
|
||||
- Deprecate `FreeFlow` and `AxiStagnFlow` classes by moving the relevant functions into the `StFlow` class ([`c1067aa6`](https://github.com/Cantera/cantera/commit/c1067aa6e97584d09da63cf6abdddd110522a91e), [`3ade3335`](https://github.com/Cantera/cantera/commit/3ade3335de105506d83f8550a1ca9525bdcbce01), [`a54ab2f3`](https://github.com/Cantera/cantera/commit/a54ab2f3efec19715039cd7c064902c5050eb2c1), [#546](https://github.com/Cantera/cantera/pull/546), [#548](https://github.com/Cantera/cantera/pull/548))
|
||||
|
||||
#### CTI/XML/Input Files
|
||||
- Make searches for child nodes case insensitive ([`1bd950fe`](https://github.com/Cantera/cantera/commit/1bd950fef558101d7e8080629b7e6c1d86fd0fe9))
|
||||
- Improve error messages for invalid (floating point) geometry flags ([`6bf74d17`](https://github.com/Cantera/cantera/commit/6bf74d179b04848b756791de59f830bc46fb7537), [#446](https://github.com/Cantera/cantera/pull/446), [#454](https://github.com/Cantera/cantera/pull/454))
|
||||
|
||||
#### Examples/Samples
|
||||
- Remove verbose output from f77 demo wrapper ([`172e9ffe`](https://github.com/Cantera/cantera/commit/172e9ffeadd8653ec309321dda61e68e0c508008))
|
||||
|
||||
#### Documentation
|
||||
- Note requirement to use `modifySpecies` and `modifyReaction` ([`4b4128ae`](https://github.com/Cantera/cantera/commit/4b4128aebd02140ac26fc84627d618b70c5e82dc), [#394](https://github.com/Cantera/cantera/pull/394), [#542](https://github.com/Cantera/cantera/pull/542))
|
||||
- Clarify the values returned by `getFwdRateConstants` ([`831b92da`](https://github.com/Cantera/cantera/commit/831b92dac4fd5b39ab9762a09ea5b3050927c173))
|
||||
- Move most content from the old documentation to the new website ([`7b6d04c3`](https://github.com/Cantera/cantera/commit/7b6d04c381e9ae1bcec61c53c761412ef81422ef), [`cc9c8e56`](https://github.com/Cantera/cantera/commit/cc9c8e5633da0c69077064e1092d0a87f387fb25), [`71072c43`](https://github.com/Cantera/cantera/commit/71072c43db9eecba08a017b6fb44d811fc25f6d2), [`e81cac95`](https://github.com/Cantera/cantera/commit/e81cac9582d1492eff7c1c0feeada9a5501e91c1), [`e7f346cd`](https://github.com/Cantera/cantera/commit/e7f346cddf7713837fb907cf6f898605acb3d2d0), [`7a69386b`](https://github.com/Cantera/cantera/commit/7a69386b8db61e2a9fed74855def5f156e8795ca), [`d57f1d14`](https://github.com/Cantera/cantera/commit/d57f1d147dfe8ced738ad0f489cd4917b5d2d9a4), [`b68a87d6`](https://github.com/Cantera/cantera/commit/b68a87d62466dc0e55c9c8512573da0ae7c4c25e), [`21db5d84`](https://github.com/Cantera/cantera/commit/21db5d84f3ce60a3be79392531df3a19f2d87fa3), [`30527012`](https://github.com/Cantera/cantera/commit/3052701250034ffad1bf575b790ea1e4659314f8), [`2a7aed89`](https://github.com/Cantera/cantera/commit/2a7aed89687db2048bd262d0acea27de62883c5f), [`e8d28b0e`](https://github.com/Cantera/cantera/commit/e8d28b0e89fae05e5b7e1d01f88c67a8934380f8), [`dbc3df16`](https://github.com/Cantera/cantera/commit/dbc3df168701f631b6554ecfd74565b1c9c8f1a0), [`2f3a0122`](https://github.com/Cantera/cantera/commit/2f3a0122d65ff66552dc8ed4870d0b3edfb9d764), [`9670c5da`](https://github.com/Cantera/cantera/commit/9670c5dac6aeae078fcb4414da4fbebb33ab116d), [`3fae1c1a`](https://github.com/Cantera/cantera/commit/3fae1c1a9aaa6c26945d71bcb81be7a9af808697), [`4ea9d35a`](https://github.com/Cantera/cantera/commit/4ea9d35a2b3dc8b94d1d9681ce109b5959cdd811), [`54946368`](https://github.com/Cantera/cantera/commit/549463683da253f16620493ef50788d09a61476c), [`d2252037`](https://github.com/Cantera/cantera/commit/d2252037c66ce3451c5a12ce5adac3c9f518294f), [`c28bc023`](https://github.com/Cantera/cantera/commit/c28bc0235f1b8772ce6176adb76b7c96350d248e), [`d33e67c3`](https://github.com/Cantera/cantera/commit/d33e67c36c46846f8d30fb989a1a9640c67883e5), [`7e1b6a14`](https://github.com/Cantera/cantera/commit/7e1b6a1489d4545b0dbe3d9fe92a0aa9943e8247), [`33840414`](https://github.com/Cantera/cantera/commit/33840414e5a3d21a5f9cb25278fe9e2685c590a9), [`0d559778`](https://github.com/Cantera/cantera/commit/0d559778a7a17f5e54ba99419961fee76e39ac64), [`b84d3e3f`](https://github.com/Cantera/cantera/commit/b84d3e3f79c63b9d496fcc4d413f49cec1c04111), [`053267e2`](https://github.com/Cantera/cantera/commit/053267e254dda6e7367969c4a59e936b50e2a802), [`1864e8fd`](https://github.com/Cantera/cantera/commit/1864e8fd6c845cc61ab62f403a7f574ffde9107f), [`5f556acd`](https://github.com/Cantera/cantera/commit/5f556acd34597a352665359188dd80aa87ded536), [`045f3d37`](https://github.com/Cantera/cantera/commit/045f3d37bf330dca5d2492a3a03d1eeecb7077f3), [`1ca6c5eb`](https://github.com/Cantera/cantera/commit/1ca6c5eb402db482db0958232ab2e1231f8e8cf9), [`323c7370`](https://github.com/Cantera/cantera/commit/323c7370db1e20e507d9f95038ae6186eb51fe3e), [#544](https://github.com/Cantera/cantera/pull/544))
|
||||
|
||||
#### Other
|
||||
- Move MixMaster into a separate repository ([`886d7b7c`](https://github.com/Cantera/cantera/commit/886d7b7cdc8326fa39cd180cbc0429cae0c8f873))
|
||||
- Propagation of environment variables in SCons is more sensible ([`e5edc319`](https://github.com/Cantera/cantera/commit/e5edc319de58ce7506586ec02fcd1826b900ed71), [`3c82c3a6`](https://github.com/Cantera/cantera/commit/3c82c3a6c63920f9d60604d64d07a7f5d67340a6), [`eae9250f`](https://github.com/Cantera/cantera/commit/eae9250f2efcb365a1a99b11d74accaf04e19bd3), [`66998a5a`](https://github.com/Cantera/cantera/commit/66998a5ae17222e65a6818047617413317754c13))
|
||||
- Remove deprecated code ([`7673f7cb`](https://github.com/Cantera/cantera/commit/7673f7cb529070c24d54231a2c6feb0d7514bd8d), [`3accd415`](https://github.com/Cantera/cantera/commit/3accd415e81012bc1b88832e7f29f86fd4922598))
|
||||
- Print error messages from and pass flags to GTest ([`fca22d94`](https://github.com/Cantera/cantera/commit/fca22d94e5ecb1e8b359e4a1ce8cd4f840c803b5), [`461b63e4`](https://github.com/Cantera/cantera/commit/461b63e462be2edc1a99dd96aee104bc60d44794))
|
||||
- Remove the requirement for clients to have Boost headers installed when building against the Cantera library ([`713b9cc2`](https://github.com/Cantera/cantera/commit/713b9cc23cd4fba835fb8b90e2762c3d48e3685c), [`f8d18322`](https://github.com/Cantera/cantera/commit/f8d183220c42e084bd2b5a26fb7c613aadaed462), [`686250e5`](https://github.com/Cantera/cantera/commit/686250e51f25bd0807af80dff37e5aa89b2f7df9), [`87a7deb3`](https://github.com/Cantera/cantera/commit/87a7deb35d829393e9d7ff108d71cc95248694ea), [`83ffd844`](https://github.com/Cantera/cantera/commit/83ffd844d1a23a7dec695726468fd081629fe81a), [#480](https://github.com/Cantera/cantera/pull/480))
|
||||
- Update to GTest 1.8.0 ([`60d20754`](https://github.com/Cantera/cantera/commit/60d20754923ee05cea333f70a0d81486abb09a92), [#482](https://github.com/Cantera/cantera/pull/482))
|
||||
- Remove `HAS_NO_PYTHON` configuration variable ([`16fd1831`](https://github.com/Cantera/cantera/commit/16fd18315c461a854d5d718a31608b1776aa20d4), [#483](https://github.com/Cantera/cantera/pull/483))
|
||||
- Change the options to build the Python interface, since SCons can be run by Python 3 ([`94ea9b58`](https://github.com/Cantera/cantera/commit/94ea9b585f087d7a325df6e0a908869d3b1cacfd), [`2bc4d09d`](https://github.com/Cantera/cantera/commit/2bc4d09da380903e68c23946e93ded10e65ebbd5), [`6ca67b48`](https://github.com/Cantera/cantera/commit/6ca67b48452bb87b12bdb5f9caaef5b3b60cca98), [`11943bbc`](https://github.com/Cantera/cantera/commit/11943bbc6f7f6c81c682a49f180d6b89ba1839e8), [`7054a7bb`](https://github.com/Cantera/cantera/commit/7054a7bb3d994303151269ef9688f38deb184ac1), [`f824b20f`](https://github.com/Cantera/cantera/commit/f824b20fe28ccdc7a0e84b3b72b37dd7d8fb695d), [`43b42e99`](https://github.com/Cantera/cantera/commit/43b42e99420083c04762a08daf96e27a8385f714), [`c233ddcd`](https://github.com/Cantera/cantera/commit/c233ddcd30eb296b59d5dcab59409d9ebd1311a3), [`9f4590bc`](https://github.com/Cantera/cantera/commit/9f4590bc6f16f69c34f17487362aa1163891593d), [`9c9ee9e9`](https://github.com/Cantera/cantera/commit/9c9ee9e9191df2b9b5ca6a4e3ce2a37efa733023), [`5d599bb6`](https://github.com/Cantera/cantera/commit/5d599bb680e03f3918244a0a13e1ae4015413d0d), [`4e6af27e`](https://github.com/Cantera/cantera/commit/4e6af27edf6cc3ebbf90311be827fdc95e5697a1), [`3e39a0bc`](https://github.com/Cantera/cantera/commit/3e39a0bc3d0141b3205466396f37cbd6dcd30b67), [#483](https://github.com/Cantera/cantera/pull/483), [#486](https://github.com/Cantera/cantera/pull/486), [#488](https://github.com/Cantera/cantera/pull/488))
|
||||
- Check for 3to2 during build by importing the library, rather than running a script ([`77ee76c5`](https://github.com/Cantera/cantera/commit/77ee76c5f30b73f17c873874842336a86f1da396), [#483](https://github.com/Cantera/cantera/pull/483))
|
||||
- Use `std::sort` to eliminate need for `vcs_optMax` ([`07eed363`](https://github.com/Cantera/cantera/commit/07eed363fe9f2d6287db674a44ef4353980b7256))
|
||||
- Google Test suite can be disabled entirely ([`fb4a36b1`](https://github.com/Cantera/cantera/commit/fb4a36b1ca84032704d55fa2baff8f48c980d1ac), [`9bad3545`](https://github.com/Cantera/cantera/commit/9bad3545534b022dae579a1df138f005be7695da), [`333d388f`](https://github.com/Cantera/cantera/commit/333d388f90a8d318f3dadd0e70bdcf955e1ec7bb), [#535](https://github.com/Cantera/cantera/pull/535))
|
||||
- Improve behavior of Matlab test suite ([`bdaabc04`](https://github.com/Cantera/cantera/commit/bdaabc0428dbb28e4a0d6bd037ff2d4971238d33), [`677efd82`](https://github.com/Cantera/cantera/commit/677efd82d57543577ba2455c59f2ab4e35cdad00), [`b5b542d1`](https://github.com/Cantera/cantera/commit/b5b542d10b837220aaa59a0013b7d3aed922d1dd))
|
||||
|
||||
### Additions
|
||||
|
||||
#### Thermo/Species/Elements
|
||||
- Allow synonyms for `Factory` model names ([`c28ca48c`](https://github.com/Cantera/cantera/commit/c28ca48cf8cbc9075ad3817b700640faad1e848c))
|
||||
- Add electron to the built-in elements ([`974bbc7d`](https://github.com/Cantera/cantera/commit/974bbc7da44998f4ec8f107363bbb53661fb4b0f), [#443](https://github.com/Cantera/cantera/pull/443))
|
||||
- Identify unspecified electrochemical reactions ([`04be9888`](https://github.com/Cantera/cantera/commit/04be9888ed56d14c61ce7c2b9abd58e55e9ce47a), [#452](https://github.com/Cantera/cantera/pull/452))
|
||||
- Make activity coefficients and activities available ([`a5b0bdf6`](https://github.com/Cantera/cantera/commit/a5b0bdf69547b638b7e03c5aa0273a34068eebe9))
|
||||
- Add regression tests for some thermo classes ([`338b2169`](https://github.com/Cantera/cantera/commit/338b21694f4840a0a54a7ed3cb8b5555aab87462))
|
||||
- Create a default constructor for PDSS objects and avoid unnecessary arguments in the initializers ([`04cac2b2`](https://github.com/Cantera/cantera/commit/04cac2b2771c605cf668195f04551b209838ace5))
|
||||
- Show values in `setDensity`/`setTemperature` exceptions ([`ebc478f8`](https://github.com/Cantera/cantera/commit/ebc478f8ec46eae1cda179e6b65536af268bfad7))
|
||||
- Add Cython function to access species viscosity ([`cc93ce62`](https://github.com/Cantera/cantera/commit/cc93ce62ca23ac9dca8074d10d3c0531387ba864), [#527](https://github.com/Cantera/cantera/pull/527))
|
||||
- Add `get_equivalence_ratio` function ([`a9ad75e9`](https://github.com/Cantera/cantera/commit/a9ad75e974b7d1aed642a23f5b58ff7bd27a2d8d), [#521](https://github.com/Cantera/cantera/pull/521))
|
||||
- Add `newSubstance` method to create pure fluid objects by name ([`62c67e4a`](https://github.com/Cantera/cantera/commit/62c67e4ad1f57763c25393382e7901c8fb131713))
|
||||
- Allow `surface_reaction`s (not just `edge_reaction`s) to be charge transfer reactions ([`51f419fb`](https://github.com/Cantera/cantera/commit/51f419fbadef27d318f249c447400a1618a6d151), [#439](https://github.com/Cantera/cantera/pull/439))
|
||||
|
||||
#### Transport
|
||||
- Add unity Lewis number transport model ([`d38d9da3`](https://github.com/Cantera/cantera/commit/d38d9da32c0ecbebde25b4a33f56635f20316e0b), [`29a3c193`](https://github.com/Cantera/cantera/commit/29a3c1939960beae7a651f6fad0b754856fd5de7), [`3c3ef10f`](https://github.com/Cantera/cantera/commit/3c3ef10f9321f418db3caf9394ee551635588da3), [`d4492f3e`](https://github.com/Cantera/cantera/commit/d4492f3ea39bb991f493407470b31b22e7ba8e42), [`a1c12b4a`](https://github.com/Cantera/cantera/commit/a1c12b4a3b69c91e17bb2a156116c779e477c85c), [#510](https://github.com/Cantera/cantera/pull/510))
|
||||
- Add ion gas transport model ([`b7e32e46`](https://github.com/Cantera/cantera/commit/b7e32e4604a9de401ea651f5a3142fcc04de1711), [`3a0f46eb`](https://github.com/Cantera/cantera/commit/3a0f46eb56f8a99a7152db36aa1b991538048bb9), [`eeb27d84`](https://github.com/Cantera/cantera/commit/eeb27d84a9c1a374da9bf7b4409370c62580aa84), [`f7852ad8`](https://github.com/Cantera/cantera/commit/f7852ad84c078cbbc39cfc1e23ff72087a57efb5), [`fa9b9374`](https://github.com/Cantera/cantera/commit/fa9b9374cfe8c11349866a475c4ebf535f47368a), [`1245a694`](https://github.com/Cantera/cantera/commit/1245a694e522dbd9df0fdceb004b42816e0554f3), [`5c783c70`](https://github.com/Cantera/cantera/commit/5c783c708f0c08def6f6a3d8328b336d65842357), [#539](https://github.com/Cantera/cantera/pull/539))
|
||||
|
||||
#### 1-D Flames
|
||||
- Add access to current solution residuals ([`6a52908d`](https://github.com/Cantera/cantera/commit/6a52908d8571b171bc5685944f185f0aefef4bc3))
|
||||
- Allow user to pass the locations where temperature is set during flame initialization ([`2a38b0a7`](https://github.com/Cantera/cantera/commit/2a38b0a765aee9fe0baae7d42fa8763591f09352), [#447](https://github.com/Cantera/cantera/pull/447))
|
||||
- Add ability to simulate ionized flames using the `IonFlow` and `BurnerIonFlame` classes ([`3b12c6d6`](https://github.com/Cantera/cantera/commit/3b12c6d6623c83a1013398aa694b9dd4d745058c), [`e2f718c6`](https://github.com/Cantera/cantera/commit/e2f718c65b75e3d3670e9b774a79d2f4f1c8606e), [`9dd0134e`](https://github.com/Cantera/cantera/commit/9dd0134e3135720c43b01c7bf9b6961cddc4359e), [`6b6d758f`](https://github.com/Cantera/cantera/commit/6b6d758f2390487b7952916c4f3a9fdec535a59b), [`1057d207`](https://github.com/Cantera/cantera/commit/1057d2073182628e790c70df0a42f812687ff340), [`1be83743`](https://github.com/Cantera/cantera/commit/1be837434240a8610f164ee14355d4f0eee27057), [`a8cbfd2c`](https://github.com/Cantera/cantera/commit/a8cbfd2c41fc324ce40b59e6e2ac8c192e97fd83), [`2472e080`](https://github.com/Cantera/cantera/commit/2472e080c377fad61162d04200f385cc3096a39b), [`a99004d8`](https://github.com/Cantera/cantera/commit/a99004d8ef2cd802ce8923f08bf8cf9486c7e9cb), [`24940aee`](https://github.com/Cantera/cantera/commit/24940aeef774e91156cbaa15e8e219b4c35287ad), [`c3ba2642`](https://github.com/Cantera/cantera/commit/c3ba26428421f2edde473d11ad4831da2c9afe6b), [`a5762ea6`](https://github.com/Cantera/cantera/commit/a5762ea6b6ee40cc74b32ce0871ae1f788417a87), [`ac8612f3`](https://github.com/Cantera/cantera/commit/ac8612f36b7e317fb01e25a33d1edf4ecbfdc604), [#441](https://github.com/Cantera/cantera/pull/441), [#471](https://github.com/Cantera/cantera/pull/471), [#546](https://github.com/Cantera/cantera/pull/546), [#548](https://github.com/Cantera/cantera/pull/548))
|
||||
- Add function to get the refine criteria used in a flame ([`bce4210e`](https://github.com/Cantera/cantera/commit/bce4210e1b2bf424c2d1e7f1ded45cfcdbfa761d), [`4b44c661`](https://github.com/Cantera/cantera/commit/4b44c6618285679d00969cddcd12310586240c48), [`c88ddce0`](https://github.com/Cantera/cantera/commit/c88ddce0d69523b9dab1cc09a1196726de0d6dd9), [#469](https://github.com/Cantera/cantera/pull/469))
|
||||
- Add a more general `CounterFlowDiffusionFlame` to Matlab, replacing `npflame_init` ([`43bd96b5`](https://github.com/Cantera/cantera/commit/43bd96b5ba6073bd952dd2231daac3ead40e1ff7), [`c092484f`](https://github.com/Cantera/cantera/commit/c092484f4df60caf0c967df4552eedf2c010eb53), [#450](https://github.com/Cantera/cantera/pull/450))
|
||||
- Allow access to and disabling of callbacks for 1-D problems ([`4b352751`](https://github.com/Cantera/cantera/commit/4b352751f54a033f731d3d69c43c9afe6da559d0), [`7a314d31`](https://github.com/Cantera/cantera/commit/7a314d3124bb74583850e9ede8d265f1605ae7bf), [#489](https://github.com/Cantera/cantera/pull/489))
|
||||
- Automatically detect when the domain width is too narrow or the flame has blown off the burner ([`dfd4b7e6`](https://github.com/Cantera/cantera/commit/dfd4b7e671c847cbe2aa6b1e1ed49b0215727990), [`7eb4eaa1`](https://github.com/Cantera/cantera/commit/7eb4eaa13aeb77a4d723d80739e4496e75276807), [`4911539b`](https://github.com/Cantera/cantera/commit/4911539b565bffd0b30ffd26e04c30f085b85768), [#489](https://github.com/Cantera/cantera/pull/489))
|
||||
- Add `BurnerIonFlame` class ([`25278695`](https://github.com/Cantera/cantera/commit/2527869536bec16a9e92a593d9389b632dac1409), [`5082a212`](https://github.com/Cantera/cantera/commit/5082a212c446743e57996d403c1061037864d540), [`ee633f3e`](https://github.com/Cantera/cantera/commit/ee633f3e16314210ecdd7edbfae8b519f274aac1), [`16624986`](https://github.com/Cantera/cantera/commit/166249869b5c3c828bfc63563de4a2c826047be8), [#548](https://github.com/Cantera/cantera/pull/548))
|
||||
|
||||
#### CTI/Input files
|
||||
- Allow negative reaction orders ([`8f02c777`](https://github.com/Cantera/cantera/commit/8f02c777a5904069e8c8b57ae695be1fb383f033), [`4771874c`](https://github.com/Cantera/cantera/commit/4771874c757942807f40baa66e8a90e8f69ef25e), [`501b5fd1`](https://github.com/Cantera/cantera/commit/501b5fd1f52360464e55a047b92473ca0a89686d), [#485](https://github.com/Cantera/cantera/pull/485))
|
||||
- Add support for parsing species with specific site occupancies ([`89bca5fc`](https://github.com/Cantera/cantera/commit/89bca5fcd1d8cd964abc731d8852d5ac87914e3c), [#444](https://github.com/Cantera/cantera/pull/444))
|
||||
- Improve error message reporting during failed `ck2cti` conversions ([`4b5a37a3`](https://github.com/Cantera/cantera/commit/4b5a37a3362b7c6001f021256c3241e3e592284e), [`9c3b500e`](https://github.com/Cantera/cantera/commit/9c3b500ec869080c166485f37e2ba39c987b6f7e), [`4affcd1e`](https://github.com/Cantera/cantera/commit/4affcd1efb4f99843878147e678b7e6a9e62ccb1), [`411be3e6`](https://github.com/Cantera/cantera/commit/411be3e6cf1d110143fdf893c8a050762f7dc6c7), [#497](https://github.com/Cantera/cantera/pull/497))
|
||||
- Allow `convertMech` function to be called multiple times ([`277aa0b9`](https://github.com/Cantera/cantera/commit/277aa0b91328748d266db644b12edd3934cf2ac7), [#528](https://github.com/Cantera/cantera/pull/528), [#536](https://github.com/Cantera/cantera/pull/536))
|
||||
|
||||
#### Other
|
||||
- Add methods for getting the git commit ([`8e89bbb8`](https://github.com/Cantera/cantera/commit/8e89bbb8d2dde80b59b2533563ff67c935addd41), [`7979a2b5`](https://github.com/Cantera/cantera/commit/7979a2b52a791d0e22e161a6400590514ed024fe))
|
||||
- Add class `AnyMap` ([`56022e89`](https://github.com/Cantera/cantera/commit/56022e898915c32ecb768fd8a48ec6054354a94c), [`9c084d5c`](https://github.com/Cantera/cantera/commit/9c084d5c84d010ca98d870c73139783cb769a87c), [`7fab7f3c`](https://github.com/Cantera/cantera/commit/7fab7f3cd3deec74e649a522b37e10efdf238e79), [#443](https://github.com/Cantera/cantera/pull/443))
|
||||
- Add compatibility with Cython >=0.26 ([`8d953a94`](https://github.com/Cantera/cantera/commit/8d953a9424700b85beff13a83fe7a6921768dd75), [#465](https://github.com/Cantera/cantera/pull/465), [#467](https://github.com/Cantera/cantera/pull/467))
|
||||
- Add compatibility with fmt 4.0.0 ([`ea69a014`](https://github.com/Cantera/cantera/commit/ea69a014a54ac0fb5199c63b4b673af0b3eff23d), [#470](https://github.com/Cantera/cantera/pull/470))
|
||||
- Building now supports SCons 3.0.0 and Python 3 running SCons ([`7d0bc714`](https://github.com/Cantera/cantera/commit/7d0bc71448f549f3486c5c552c569f1e1f0f5565), [`684262e9`](https://github.com/Cantera/cantera/commit/684262e945f67498fb7ab460578249ed7bd11188), [#477](https://github.com/Cantera/cantera/pull/477), [#478](https://github.com/Cantera/cantera/pull/478), [#481](https://github.com/Cantera/cantera/pull/481))
|
||||
- Allow building and testing with msvc-12.0 ([`e921cb89`](https://github.com/Cantera/cantera/commit/e921cb89c8cb3c167919344277009d54ae711255), [`6844e527`](https://github.com/Cantera/cantera/commit/6844e527137bf265ca8799f408aec1053b66b48a), [#479](https://github.com/Cantera/cantera/pull/479))
|
||||
- Add `setup_cantera.csh` for use with csh/tcsh ([`4a4886f6`](https://github.com/Cantera/cantera/commit/4a4886f63ef21e763092ec04876215b61962dcab), [#453](https://github.com/Cantera/cantera/pull/453))
|
||||
- Add conda GCC compilers to the check for C compilers during building ([`07409dea`](https://github.com/Cantera/cantera/commit/07409dea59cffa57e4dba91087e52d1201b4eb6e), [#486](https://github.com/Cantera/cantera/pull/486))
|
||||
- Many documentation updates related to Cantera joining NumFOCUS ([`e846505f`](https://github.com/Cantera/cantera/commit/e846505f5783a979b245974a61a0d94e241ccbd1), [`e6b4761c`](https://github.com/Cantera/cantera/commit/e6b4761c6bbc31484afda0af29e6f8450e41fb21), [`af4a78dd`](https://github.com/Cantera/cantera/commit/af4a78dddef088785916cf1058c28444e33b463d), [`ec5aecd3`](https://github.com/Cantera/cantera/commit/ec5aecd3d6cd422a78df5225aead2952d04a04ee), [`419a09c4`](https://github.com/Cantera/cantera/commit/419a09c4145f2a5803f1e30a4554478ffb30235f), [`581cfb7c`](https://github.com/Cantera/cantera/commit/581cfb7c042289d4dc7eda32bdec9017d5346137), [`8caf5e5a`](https://github.com/Cantera/cantera/commit/8caf5e5aca2549d7ba2075b6312de64004d346a8), [`977a1c77`](https://github.com/Cantera/cantera/commit/977a1c7736aaf177138ae297fce3ef8b77494954), [`0d20b505`](https://github.com/Cantera/cantera/commit/0d20b50543815370244b112f9e0247568158ae19), [`c78a11b3`](https://github.com/Cantera/cantera/commit/c78a11b32f6d1613dce77cf2120ecaab96880b08), [`2abc57e2`](https://github.com/Cantera/cantera/commit/2abc57e2f1324d5e30537f01d39c15b88fe4206f), [`05fa4df3`](https://github.com/Cantera/cantera/commit/05fa4df3b9ebe4a8ea644dc23101d7cc62414404), [`8195403f`](https://github.com/Cantera/cantera/commit/8195403fefc63fd1f36707ab36b7495d5fdc22e7), [`1a394a34`](https://github.com/Cantera/cantera/commit/1a394a3402d929a4acbd47be8a4e22240ece35ed), [`c29fbc80`](https://github.com/Cantera/cantera/commit/c29fbc808e1a1073ff823da1076d066607362662), [`66597b72`](https://github.com/Cantera/cantera/commit/66597b72ffcdabd199aebe53b7654962188abe29), [`a0ac2b0c`](https://github.com/Cantera/cantera/commit/a0ac2b0cc62604009f529037001fb544176b4db3), [#502](https://github.com/Cantera/cantera/pull/502))
|
||||
- Add support for SUNDIALS 3.0.0 and 3.1.0 ([`50a3fecb`](https://github.com/Cantera/cantera/commit/50a3fecb23f4cf97e71d989812a48c1a4c40f754), [`9c50f752`](https://github.com/Cantera/cantera/commit/9c50f7528c71ef470d73939f580d03ea342d85dd), [`82c959d3`](https://github.com/Cantera/cantera/commit/82c959d3a39fbe0e4ecdb0ceca9dff81c9e0254b), [`322b1fc3`](https://github.com/Cantera/cantera/commit/322b1fc37572dca61067397d460cc809b9bece46), [#503](https://github.com/Cantera/cantera/pull/503))
|
||||
- Upgrade Eigen submodule to 3.3.4 ([`20f891f1`](https://github.com/Cantera/cantera/commit/20f891f1a43acb5fd72963bf34ba101e10fcbf4c))
|
||||
- Add links to old versions of the documentation ([`b26dc65c`](https://github.com/Cantera/cantera/commit/b26dc65c415c69af050f1ef28c5505f10f5800bb))
|
||||
- Upgrade `fmtlib` submodule to 5.0.0 ([`6b3c912e`](https://github.com/Cantera/cantera/commit/6b3c912ec3147c1cb91e57a21bda30379746c88e), [`99d4972e`](https://github.com/Cantera/cantera/commit/99d4972e6b962ed91ef7dc8fb6943416fe86c846), [`3be3f7da`](https://github.com/Cantera/cantera/commit/3be3f7dad5291aa53c633e3043768d7527e54148), [`e42b952a`](https://github.com/Cantera/cantera/commit/e42b952a8ac88b46d274cfa034e5f3617e1d8c0c), [`51d0d43a`](https://github.com/Cantera/cantera/commit/51d0d43a4505cb680e073a552cbb31b0f385460d), [`309871ae`](https://github.com/Cantera/cantera/commit/309871ae8823aa182e4f7a6fb2d8bf3a456019a3), [`dab73901`](https://github.com/Cantera/cantera/commit/dab739013ed2c766583cf27cc0617ff68f77c64d), [#540](https://github.com/Cantera/cantera/pull/540))
|
||||
|
||||
#### Examples/Samples
|
||||
- Add C++ OpenMP example ([`78d5809d`](https://github.com/Cantera/cantera/commit/78d5809d6f3e79a6afb6dad211a0417c56bd5065))
|
||||
- Add NonIdealShockTube example ([`2a601c14`](https://github.com/Cantera/cantera/commit/2a601c148f9f586d72e247162946e64739477e4a), [`e78aac7b`](https://github.com/Cantera/cantera/commit/e78aac7b70265705aef4d62cde8c675003dc50e5), [`26216e9a`](https://github.com/Cantera/cantera/commit/26216e9adc9eddbd7466b0ff068860148134241a), [#473](https://github.com/Cantera/cantera/pull/473), [#483](https://github.com/Cantera/cantera/pull/483))
|
||||
- Add example of PSR/WSR that replaces `combustor.py` ([`dc5ec06a`](https://github.com/Cantera/cantera/commit/dc5ec06a0c020715ccda93942e50c2d2281ee51b), [#550](https://github.com/Cantera/cantera/pull/550))
|
||||
- Add example of using a time-dependent mass flow into a reactor ([`2f67c996`](https://github.com/Cantera/cantera/commit/2f67c9969d6ff2020410fa7ea5abc782c528dc6f), [#550](https://github.com/Cantera/cantera/pull/550))
|
||||
119
doc/sphinx/reference/releasenotes/v2.5.md
Normal file
119
doc/sphinx/reference/releasenotes/v2.5.md
Normal file
@@ -0,0 +1,119 @@
|
||||
# Cantera 2.5.1
|
||||
|
||||
Published on February 12, 2021 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.5.1)
|
||||
|
||||
The Cantera development team is pleased to announce the availability of Cantera 2.5.1. There have been 1000 commits to Cantera since the release of Cantera 2.4.0 in August 2018. We have closed or merged more than [250 pull requests](https://github.com/Cantera/cantera/pulls?q=is%3Apr+is%3Aclosed+updated%3A%3E%3D2018-08-24) and [100 issues](https://github.com/Cantera/cantera/issues?q=is%3Aissue+is%3Aclosed+updated%3A%3E%3D2018-08-24). The complete list of changes can be found on the [Cantera Wiki page](https://github.com/Cantera/cantera/wiki/Complete-git-log-between-v2.4.0-and-v2.5.1), and a summary of new features, changes, and bugs fixed in this release is included below, with links to the associated Pull Requests on GitHub.
|
||||
|
||||
|
||||
Cantera 2.5 introduces a new input file format, based on the [YAML](https://yaml.org/) data format. This format supersedes the CTI and XML (sometimes called CTML) formats that Cantera has used for many years. Converter scripts from CTI and XML to YAML (`cti2yaml` and `ctml2yaml`), as well as from CHEMKIN (CK) format to YAML (`ck2yaml`), are provided with this release. You can use these scripts in the same way that the old `ck2cti` script was used. All users are encouraged to switch their input files to the new format.
|
||||
|
||||
Instructions for installing Cantera 2.5 are available on the [Cantera website](https://cantera.org/install/index.html). Available options include Conda, native installers for Windows and macOS, Ubuntu packages, and compiling from source.
|
||||
|
||||
Thank you to the following contributors to Cantera 2.5:
|
||||
|
||||
[@12Chao](https://github.com/12Chao), [@agarwalrounak](https://github.com/agarwalrounak), [@arghdos](https://github.com/arghdos), [@band-a-prend](https://github.com/band-a-prend), [@BangShiuh](https://github.com/BangShiuh), [@bryanwweber](https://github.com/bryanwweber), [@CyberDrudge](https://github.com/CyberDrudge), [@decaluwe](https://github.com/decaluwe), [@dholland88](https://github.com/dholland88), [@g3bk47](https://github.com/g3bk47), [@inducer](https://github.com/inducer), [@ischoegl](https://github.com/ischoegl), [@jsantner](https://github.com/jsantner), [@korffdm](https://github.com/korffdm), [@kyleniemeyer](https://github.com/kyleniemeyer), [@lavdwall](https://github.com/lavdwall), [@lionkey](https://github.com/lionkey), [@manikmayur](https://github.com/manikmayur), [@mgashwinkumar](https://github.com/mgashwinkumar), [@paulblum](https://github.com/paulblum), [@rwest](https://github.com/rwest), [@sameshl](https://github.com/sameshl), [@sin-ha](https://github.com/sin-ha), [@speth](https://github.com/speth), [@spinnau](https://github.com/spinnau), [@ThanasisMattas](https://github.com/ThanasisMattas), [@tsikes](https://github.com/tsikes), [@wbessler](https://github.com/wbessler)
|
||||
|
||||
|
||||
## New Features
|
||||
|
||||
- Added a new, YAML-based input file format ([#584](https://github.com/Cantera/cantera/pull/584), [#663](https://github.com/Cantera/cantera/pull/663), [#664](https://github.com/Cantera/cantera/pull/664), [#671](https://github.com/Cantera/cantera/pull/671), [#693](https://github.com/Cantera/cantera/pull/693), [#707](https://github.com/Cantera/cantera/pull/707), [#708](https://github.com/Cantera/cantera/pull/708), [#716](https://github.com/Cantera/cantera/pull/716), [#723](https://github.com/Cantera/cantera/pull/723), [#738](https://github.com/Cantera/cantera/pull/738), [#750](https://github.com/Cantera/cantera/pull/750), [#764](https://github.com/Cantera/cantera/pull/764), [#768](https://github.com/Cantera/cantera/pull/768), [#773](https://github.com/Cantera/cantera/pull/773), [#784](https://github.com/Cantera/cantera/pull/784), [#794](https://github.com/Cantera/cantera/pull/794), [#795](https://github.com/Cantera/cantera/pull/795), [#813](https://github.com/Cantera/cantera/pull/813), [#855](https://github.com/Cantera/cantera/pull/855), [#857](https://github.com/Cantera/cantera/pull/857), [#866](https://github.com/Cantera/cantera/pull/866), [#869](https://github.com/Cantera/cantera/pull/869), [#880](https://github.com/Cantera/cantera/pull/880), [#897](https://github.com/Cantera/cantera/pull/897), [#899](https://github.com/Cantera/cantera/pull/899), [#961](https://github.com/Cantera/cantera/pull/961), [#970](https://github.com/Cantera/cantera/pull/970), [#941](https://github.com/Cantera/cantera/pull/941), [#974](https://github.com/Cantera/cantera/pull/974))
|
||||
- Add interface for reading and writing 1D Flame and `SolutionArray` objects from/to HDF5 files ([#680](https://github.com/Cantera/cantera/pull/680), [#687](https://github.com/Cantera/cantera/pull/687), [#805](https://github.com/Cantera/cantera/pull/805), [#840](https://github.com/Cantera/cantera/pull/840), [#860](https://github.com/Cantera/cantera/pull/860), [#871](https://github.com/Cantera/cantera/pull/871), [#900](https://github.com/Cantera/cantera/pull/900), [#943](https://github.com/Cantera/cantera/pull/943), [#931](https://github.com/Cantera/cantera/pull/931))
|
||||
- Add `BinarySolutionTabulatedThermo` class, which implements implements tabulated standard state thermodynamics in a binary solution. ([#563](https://github.com/Cantera/cantera/pull/563), [#606](https://github.com/Cantera/cantera/pull/606), [#637](https://github.com/Cantera/cantera/pull/637), [#640](https://github.com/Cantera/cantera/pull/640), [#725](https://github.com/Cantera/cantera/pull/725))
|
||||
- Introduce C++ `Solution` class to simplify creation of coupled `ThermoPhase`, `Kinetics`, and `Transport` objects ([#696](https://github.com/Cantera/cantera/pull/696), [#735](https://github.com/Cantera/cantera/pull/735))
|
||||
- Determine Redlich-Kwong parameters from a database of critical property data ([#574](https://github.com/Cantera/cantera/pull/574), [#576](https://github.com/Cantera/cantera/pull/576), [`33e198f7e`](https://github.com/Cantera/cantera/commit/33e198f7e527dee6a97869d6677d2da9b58247b1), [`ebb93cb5a`](https://github.com/Cantera/cantera/commit/ebb93cb5a23591ca3badb186940e5b1a89e8a411))
|
||||
- Make transport property calculations available for pure fluid water phases ([#558](https://github.com/Cantera/cantera/pull/558))
|
||||
- Make `InterfaceKinetics.advance_coverages_to_steady_state` available in the Python interface ([#592](https://github.com/Cantera/cantera/pull/592), [#610](https://github.com/Cantera/cantera/pull/610))
|
||||
- Add functions for returning the phase of matter for `ThermoPhase` objects ([#722](https://github.com/Cantera/cantera/pull/722), [#839](https://github.com/Cantera/cantera/pull/839))
|
||||
- Add new `ReactorNet::advanceTowards` method to combine benefits of both the 'step' and 'advance' methods; see 'reactor3.py' example ([#629](https://github.com/Cantera/cantera/pull/629), [#756](https://github.com/Cantera/cantera/pull/756))
|
||||
- Enable setting the maximum number of CVODEs steps in the Python interface ([#581](https://github.com/Cantera/cantera/pull/581))
|
||||
- Add factories for `FlowDevice` and `Wall` objects, to enable creation of user-defined derived classes ([#632](https://github.com/Cantera/cantera/pull/632))
|
||||
- Allow classes derived from `StFlow` to have additional state variables ([#624](https://github.com/Cantera/cantera/pull/624))
|
||||
- Add wrappers to make `piecewise-Gibbs` and `NASA9` species thermo objects accessible in Python ([#711](https://github.com/Cantera/cantera/pull/711))
|
||||
- Add `set_equivalence_ratio` function to `SolutionArray` objects ([#677](https://github.com/Cantera/cantera/pull/677))
|
||||
- Add ability to sort `SolutionArray` objects ([#688](https://github.com/Cantera/cantera/pull/688))
|
||||
- Support use of Sundials versions up to 5.7 ([`5e226535d`](https://github.com/Cantera/cantera/commit/5e226535de33a73dd59429eb54ef5d157d0afaa1), [#672](https://github.com/Cantera/cantera/pull/672), [#780](https://github.com/Cantera/cantera/pull/780), [#814](https://github.com/Cantera/cantera/pull/814), [#974](https://github.com/Cantera/cantera/pull/974))
|
||||
- Add functions for setting species aliases and finding isomers ([#714](https://github.com/Cantera/cantera/pull/714), [#876](https://github.com/Cantera/cantera/pull/876))
|
||||
- Added `warn_user` function as a consistent way of issuing warnings from C++ ([#741](https://github.com/Cantera/cantera/pull/741))
|
||||
- Add get/set equivalenceRatio/mixtureFraction functions to C++ ([#851](https://github.com/Cantera/cantera/pull/851))
|
||||
- Make `getDeltaEnthalpies` available in the Matlab interface ([#659](https://github.com/Cantera/cantera/pull/659))
|
||||
- Add `TabulatedFunction` class for providing time-varying reactor inputs specified by tabular input ([#797](https://github.com/Cantera/cantera/pull/797))
|
||||
- Add plug flow reactor example in MATLAB ([#701](https://github.com/Cantera/cantera/pull/701))
|
||||
- Make `liquid-water-IAPWS95` available as a phase model ([#921](https://github.com/Cantera/cantera/pull/921))
|
||||
- Make species charge information available in Python ([#863](https://github.com/Cantera/cantera/pull/863))
|
||||
- Add `kinetics_species_name` and `kinetics_species_names` functions to Python interface ([`5601ee906`](https://github.com/Cantera/cantera/commit/5601ee906741a539b8316ad9dad0cc7dbf4d6d68))
|
||||
- Added `list_data_files` function to Python module ([#589](https://github.com/Cantera/cantera/pull/589))
|
||||
- Add `fast_fail_tests` option to SCons ([#772](https://github.com/Cantera/cantera/pull/772))
|
||||
- Add some functions which were missing from the Fortran interface ([#828](https://github.com/Cantera/cantera/pull/828), [#858](https://github.com/Cantera/cantera/pull/858), [#870](https://github.com/Cantera/cantera/pull/870))
|
||||
- Provide `const` versions of certain functions ([#850](https://github.com/Cantera/cantera/pull/850), [`9aa507a09`](https://github.com/Cantera/cantera/commit/9aa507a0988e9b12724f1c25ef23a67f4b04cd27))
|
||||
- Expand `~` as user homedir shortcut when adding data directories ([`ca8700fdd`](https://github.com/Cantera/cantera/commit/ca8700fdd406f148dd27bb238fc748f00ede69f4))
|
||||
|
||||
## Changes to existing features
|
||||
|
||||
- Remove support for Python 2 ([#560](https://github.com/Cantera/cantera/pull/560), [#611](https://github.com/Cantera/cantera/pull/611))
|
||||
- Update physical constants based on 2018 CODATA values, and atomic weights to 2018 IUPAC/CIAAW values ([#653](https://github.com/Cantera/cantera/pull/653))
|
||||
- Deprecated some redundant or rarely-used classes and functions. See the deprecation lists for <a href="https://cantera.org/documentation/docs-2.5/doxygen/html/da/d58/deprecated.html">C++</a> and <a href="https://cantera.org/documentation/docs-2.5/sphinx/html/search.html?q=deprecated&check_keywords=yes&area=default">Python / Matlab / Input files</a>. ([#580](https://github.com/Cantera/cantera/pull/580), [#588](https://github.com/Cantera/cantera/pull/588), [#645](https://github.com/Cantera/cantera/pull/645), [#643](https://github.com/Cantera/cantera/pull/643), [#660](https://github.com/Cantera/cantera/pull/660), [#733](https://github.com/Cantera/cantera/pull/733), [#735](https://github.com/Cantera/cantera/pull/735), [#762](https://github.com/Cantera/cantera/pull/762), [#787](https://github.com/Cantera/cantera/pull/787), [#790](https://github.com/Cantera/cantera/pull/790), [#806](https://github.com/Cantera/cantera/pull/806), [#815](https://github.com/Cantera/cantera/pull/815), [#864](https://github.com/Cantera/cantera/pull/864), [`35be561d9`](https://github.com/Cantera/cantera/commit/35be561d99c4ee8f544db4016849d94bf26b4df6), [`27d9b6413`](https://github.com/Cantera/cantera/commit/27d9b6413a6b12a84947db72658c1785e8c1393f))
|
||||
- Build and test the sample programs / scripts as part of the CI process ([`1ec9ce2c0`](https://github.com/Cantera/cantera/commit/1ec9ce2c01da81479952dcc12140634d9bd4d9ff), [#649](https://github.com/Cantera/cantera/pull/649), [#776](https://github.com/Cantera/cantera/pull/776), [#874](https://github.com/Cantera/cantera/pull/874), [#883](https://github.com/Cantera/cantera/pull/883), [#905](https://github.com/Cantera/cantera/pull/905), [#923](https://github.com/Cantera/cantera/pull/923), [#927](https://github.com/Cantera/cantera/pull/927))
|
||||
- Improve handling of phases where the intrinsic state variables are not temperature and density ([#720](https://github.com/Cantera/cantera/pull/720))
|
||||
- Improve detection and handling of errors in Chemkin input files ([#585](https://github.com/Cantera/cantera/pull/585), [`b2acc43a8`](https://github.com/Cantera/cantera/commit/b2acc43a813fd755a4b60bca87006dc7a72a74a0), [`4f4a2bd07`](https://github.com/Cantera/cantera/commit/4f4a2bd07162a67ca96dcc9f514dbab29beedcfe), [`d04fd8cc3`](https://github.com/Cantera/cantera/commit/d04fd8cc39cb9982aafe7cac28b58174b5fd6a81))
|
||||
- Consolidate and report all errors when adding reactions, instead of just failing on the first one ([#903](https://github.com/Cantera/cantera/pull/903), [#946](https://github.com/Cantera/cantera/pull/946))
|
||||
- Use 'Q' instead of 'X' for the quality (vapor fraction) of two-phase mixtures in Python ([#719](https://github.com/Cantera/cantera/pull/719))
|
||||
- Always use temperature of the "reacting" phase for interface kinetics ([`6c82b61c3`](https://github.com/Cantera/cantera/commit/6c82b61c3d8b6738a8a9edb5c062fa3c50423d96))
|
||||
- Make interface for setting parameters for Valves and PressureControllers more intuitive ([#667](https://github.com/Cantera/cantera/pull/667), [#682](https://github.com/Cantera/cantera/pull/682))
|
||||
- Add N2 to `h2o2.yaml` ([#959](https://github.com/Cantera/cantera/pull/959))
|
||||
- Make CVODES integrator `max_time_step` a property in the Python module ([#731](https://github.com/Cantera/cantera/pull/731))
|
||||
- Switch CI to GitHub Actions ([#775](https://github.com/Cantera/cantera/pull/775), [#884](https://github.com/Cantera/cantera/pull/884), [#889](https://github.com/Cantera/cantera/pull/889), [#957](https://github.com/Cantera/cantera/pull/957))
|
||||
- Use experimentally-derived O2/O2- collision integral in ionized flames ([#552](https://github.com/Cantera/cantera/pull/552))
|
||||
- Consistently use `CanteraError` in Python examples ([#596](https://github.com/Cantera/cantera/pull/596), [`05eaa0a5e`](https://github.com/Cantera/cantera/commit/05eaa0a5e4d0c73c5827f7f2c9bbd090d68e8c30))
|
||||
- Add option to use case-sensitive species names ([#689](https://github.com/Cantera/cantera/pull/689))
|
||||
- Treat deprecation warnings issued from Python and C++ consistently ([#796](https://github.com/Cantera/cantera/pull/796))
|
||||
- Improve sample build scripts on maCOS ([#612](https://github.com/Cantera/cantera/pull/612))
|
||||
- Updated the `diamond_cvd.py` example to include plotting the output ([#630](https://github.com/Cantera/cantera/pull/630))
|
||||
- Make GRI-3.0 mechanisms consistent with latest online version ([#718](https://github.com/Cantera/cantera/pull/718))
|
||||
- Follow Python naming convention for arguments to `ThermoPhase.equilibrate` ([#684](https://github.com/Cantera/cantera/pull/684))
|
||||
- Remove unused Chemkin input files from the source distribution ([#799](https://github.com/Cantera/cantera/pull/799))
|
||||
- Move `heat_release_rate` method to Python `Kinetics` class ([#810](https://github.com/Cantera/cantera/pull/810))
|
||||
- Automatically add `negative_A` option for third body reactions when converting from Chemkin input ([#822](https://github.com/Cantera/cantera/pull/822))
|
||||
- Allow negative pre-exponential factor for falloff reactions ([#868](https://github.com/Cantera/cantera/pull/868))
|
||||
- Search current working directory before built-in data directories when using Python ([#792](https://github.com/Cantera/cantera/pull/792))
|
||||
- Check for additional invalid string-to-double conversions when parsing composition strings ([`84535483f`](https://github.com/Cantera/cantera/commit/84535483f9ba768c72196fccf2e9ac2c1ee9d0dd))
|
||||
- The default branch for the Cantera Git repository is now named `main` ([#890](https://github.com/Cantera/cantera/pull/890))
|
||||
- Include more significant digits for Redlich-Kwong coefficients when converting from CTI to XML ([`ec7f77943`](https://github.com/Cantera/cantera/commit/ec7f779434d705ea5097abdc88a723e1dd4c96e8))
|
||||
|
||||
## Bugs fixed
|
||||
|
||||
- Fixed various compilation issues on specific platforms and with certain SCons/compiler options ([#561](https://github.com/Cantera/cantera/pull/561), [#572](https://github.com/Cantera/cantera/pull/572), [#601](https://github.com/Cantera/cantera/pull/601), [#648](https://github.com/Cantera/cantera/pull/648), [#661](https://github.com/Cantera/cantera/pull/661), [#674](https://github.com/Cantera/cantera/pull/674), [#676](https://github.com/Cantera/cantera/pull/676), [#685](https://github.com/Cantera/cantera/pull/685), [#742](https://github.com/Cantera/cantera/pull/742), [#765](https://github.com/Cantera/cantera/pull/765), [#779](https://github.com/Cantera/cantera/pull/779), [#803](https://github.com/Cantera/cantera/pull/803), [#824](https://github.com/Cantera/cantera/pull/824), [#879](https://github.com/Cantera/cantera/pull/879), [#891](https://github.com/Cantera/cantera/pull/891), [#918](https://github.com/Cantera/cantera/pull/918), [#960](https://github.com/Cantera/cantera/pull/960), [#962](https://github.com/Cantera/cantera/pull/962), [#973](https://github.com/Cantera/cantera/pull/973), [`46b7cf180`](https://github.com/Cantera/cantera/commit/46b7cf180a9c10bf27330de804353c9ded792b7f))
|
||||
- Fix handling of local quantity units rate for Chebyshev rate constants when converting Chemkin input files ([#600](https://github.com/Cantera/cantera/pull/600))
|
||||
- Fix setting of Soret and multicomponent diffusion options after exceptions when using the `auto` option to `Sim1D.solve` ([#631](https://github.com/Cantera/cantera/pull/631))
|
||||
- Disable free flame domain width check when `auto=False` ([#690](https://github.com/Cantera/cantera/pull/690))
|
||||
- Allow setting beta = 0 for electrochemical reactions ([#955](https://github.com/Cantera/cantera/pull/955))
|
||||
- Fix Redlich-Kwong phase to not use the element potential equilibrium solver ([#898](https://github.com/Cantera/cantera/pull/898))
|
||||
- Fix erroneously-rounded transport coefficients in input files derived from GRI 3.0 ([#598](https://github.com/Cantera/cantera/pull/598))
|
||||
- Use correct phase state after `Reactor` mass flow rate evaluation ([#651](https://github.com/Cantera/cantera/pull/651))
|
||||
- Avoid NaN in entropy with small negative mass fractions ([#686](https://github.com/Cantera/cantera/pull/686))
|
||||
- Fix conversion of Chemkin input files with surface reactions with explicit reverse rates ([#754](https://github.com/Cantera/cantera/pull/754))
|
||||
- Fix conditional property updates in `IonGasTransport` ([#568](https://github.com/Cantera/cantera/pull/568))
|
||||
- Fix Chebyshev rate evaluation with only 1 point in T or P ([#706](https://github.com/Cantera/cantera/pull/706))
|
||||
- Check for non-existent species in reaction orders when adding reactions ([`e4362d37e`](https://github.com/Cantera/cantera/commit/e4362d37e7cf2d527a14c6202868b5ffd76f2436))
|
||||
- Fix various edge cases for saturated `PureFluid` states ([#907](https://github.com/Cantera/cantera/pull/907))
|
||||
- Fix comparisons of non-numeric text in `test_problems` ([#785](https://github.com/Cantera/cantera/pull/785))
|
||||
- Prevent overwriting of pre-existing extra `SolutionArray` columns ([#820](https://github.com/Cantera/cantera/pull/820))
|
||||
- Fix slicing of `SolutionArray` ([#816](https://github.com/Cantera/cantera/pull/816), [#837](https://github.com/Cantera/cantera/pull/837))
|
||||
- Prevent erroneous creation of standalone `Kinetics` and `Transport` objects in Python ([#845](https://github.com/Cantera/cantera/pull/845))
|
||||
- Ensure that the mass flow rate returned by `FlowDevice` objects is correct after a call to `ReactorNet::advance` ([#886](https://github.com/Cantera/cantera/pull/886))
|
||||
- Fix indexed assignment of 'extra' columns in `SolutionArray` ([#838](https://github.com/Cantera/cantera/pull/838))
|
||||
- Fix handling of reaction units settings not on last line when convert Chemkin input files ([`540777c32`](https://github.com/Cantera/cantera/commit/540777c32b57d99c61d0bf1e2cc825353be4846b))
|
||||
- Fix over-zealous detection of section 'end' labels when converting Chemkin input files ([`e3424d8ed`](https://github.com/Cantera/cantera/commit/e3424d8ed49f5f7611bc94933109292d32b732ec))
|
||||
- Fix building and installing the minimal Python package ([#928](https://github.com/Cantera/cantera/pull/928), [#974](https://github.com/Cantera/cantera/pull/974))
|
||||
- Check for a valid species index in `ThermoPhase::species()` ([#949](https://github.com/Cantera/cantera/pull/949))
|
||||
- Fix some corner cases in `Sim1D::setFixedTemperature` ([#936](https://github.com/Cantera/cantera/pull/936))
|
||||
- Retain user-specified products in counterflow premixed flame when using "auto" option ([`b63354447`](https://github.com/Cantera/cantera/commit/b633544477facbb9f4390b380a2e7edefac79010))
|
||||
- Fix refinement check in `ic_engine.py` example ([`d9b95b2ef`](https://github.com/Cantera/cantera/commit/d9b95b2efbe6c512f00f72fe2e0bf4fda76ba7e6))
|
||||
- Fix issues with Blasius BVP example, and install it with other C++ samples ([`dc0904027`](https://github.com/Cantera/cantera/commit/dc09040274370149c6dafb05e126e875e0db6549), [`600580ead`](https://github.com/Cantera/cantera/commit/600580ead4906339fee0bae6a80356ec5d3a4191), [`c26db356e`](https://github.com/Cantera/cantera/commit/c26db356e3523c89878e8a6f5b5cd5d64dc32b73), [`b9a5913af`](https://github.com/Cantera/cantera/commit/b9a5913af01cb316734f3742d111614fc0a957b1), [`22efbe25d`](https://github.com/Cantera/cantera/commit/22efbe25dc97c2e42960c7cf09335ca546ec8ef5), [`8c213da93`](https://github.com/Cantera/cantera/commit/8c213da93226859e741ac108333f1b08c4db7b24))
|
||||
|
||||
## Documentation updates
|
||||
|
||||
- Fix errors in equations ([#557](https://github.com/Cantera/cantera/pull/557), [#970](https://github.com/Cantera/cantera/pull/970), [`3ff5d87b8`](https://github.com/Cantera/cantera/commit/3ff5d87b815eb6c299745954947ff566e55066cc), [`c1d721dc9`](https://github.com/Cantera/cantera/commit/c1d721dc94b4f5f8dedc47a4d8066bb24d761599))
|
||||
- Improve "offline" builds of API documentation ([#562](https://github.com/Cantera/cantera/pull/562))
|
||||
- Document required versions of Cantera and dependencies for Python examples ([#729](https://github.com/Cantera/cantera/pull/729), [#756](https://github.com/Cantera/cantera/pull/756))
|
||||
- Update `AUTHORS` list to include authors from all Cantera organization repos ([#573](https://github.com/Cantera/cantera/pull/573))
|
||||
- Fix various typos and other issues ([#591](https://github.com/Cantera/cantera/pull/591), [#627](https://github.com/Cantera/cantera/pull/627), [#636](https://github.com/Cantera/cantera/pull/636), [#673](https://github.com/Cantera/cantera/pull/673), [#709](https://github.com/Cantera/cantera/pull/709), [#726](https://github.com/Cantera/cantera/pull/726), [#744](https://github.com/Cantera/cantera/pull/744), [#770](https://github.com/Cantera/cantera/pull/770), [#771](https://github.com/Cantera/cantera/pull/771), [#781](https://github.com/Cantera/cantera/pull/781), [#790](https://github.com/Cantera/cantera/pull/790), [#793](https://github.com/Cantera/cantera/pull/793), [#939](https://github.com/Cantera/cantera/pull/939), [`50997a165`](https://github.com/Cantera/cantera/commit/50997a165119ccb997206e4738750621510bbd79), [`9f5dfbdb1`](https://github.com/Cantera/cantera/commit/9f5dfbdb1273c05d176c58ab62fe7dbb12d24a94), [`442433ad3`](https://github.com/Cantera/cantera/commit/442433ad3738ecf17052811bd5751d77666b558b), [#975](https://github.com/Cantera/cantera/pull/975), [#976](https://github.com/Cantera/cantera/pull/976))
|
||||
90
doc/sphinx/reference/releasenotes/v2.6.md
Normal file
90
doc/sphinx/reference/releasenotes/v2.6.md
Normal file
@@ -0,0 +1,90 @@
|
||||
# Cantera 2.6.0
|
||||
|
||||
Published on May 1, 2022 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v2.6.0)
|
||||
|
||||
The Cantera development team is pleased to announce the availability of Cantera 2.6.0. There have been over 1400 commits to Cantera since the last version, 2.5.1, which was released in February 2021. We have closed or merged [162 pull requests](https://github.com/Cantera/cantera/pulls?q=is%3Apr+merged%3A2021-02-13..2022-05-01+is%3Aclosed) and closed [101 issues](https://github.com/Cantera/cantera/issues?page=4&q=is%3Aissue+closed%3A2021-02-13..2022-05-01+is%3Aclosed).
|
||||
|
||||
## New features, bug fixes, and other changes
|
||||
|
||||
### Highlights
|
||||
- Major redesign of how reaction rates are handled internally to improve extensibility and enable new capabilities ([E#63](https://github.com/Cantera/enhancements/issues/63), [E#87](https://github.com/Cantera/enhancements/issues/87), [#982](https://github.com/Cantera/cantera/pull/982), [#995](https://github.com/Cantera/cantera/pull/995), [#1061](https://github.com/Cantera/cantera/pull/1061), [#1101](https://github.com/Cantera/cantera/pull/1101), [#1151](https://github.com/Cantera/cantera/pull/1151), [#1153](https://github.com/Cantera/cantera/pull/1153), [#1181](https://github.com/Cantera/cantera/pull/1181), [#1183](https://github.com/Cantera/cantera/pull/1183), [#1184](https://github.com/Cantera/cantera/pull/1184), [#1187](https://github.com/Cantera/cantera/pull/1187), [#1202](https://github.com/Cantera/cantera/pull/1202), [#1216](https://github.com/Cantera/cantera/pull/1216), [#1223](https://github.com/Cantera/cantera/pull/1223), [#1225](https://github.com/Cantera/cantera/pull/1225), [#1256](https://github.com/Cantera/cantera/pull/1256), [#1257](https://github.com/Cantera/cantera/pull/1257))
|
||||
- Enable delegation of reactor implementation to user-provided Python classes ([`custom2.py`](https://github.com/Cantera/cantera/blob/2.6/interfaces/cython/cantera/examples/reactors/custom2.py), [#1003](https://github.com/Cantera/cantera/pull/1003))
|
||||
- Enable serialization of Cantera objects to YAML ([`mechanism_reduction.py`](https://github.com/Cantera/cantera/blob/2.6/interfaces/cython/cantera/examples/kinetics/mechanism_reduction.py), [#984](https://github.com/Cantera/cantera/pull/984), [#1014](https://github.com/Cantera/cantera/pull/1014), [#1031](https://github.com/Cantera/cantera/pull/1031))
|
||||
- Implement pickling of Python `Solution` objects ([#692](https://github.com/Cantera/cantera/pull/692))
|
||||
- Add [PyPI](https://pypi.org/project/Cantera/) package for Cantera, installable with `pip` ([#1075](https://github.com/Cantera/cantera/pull/1075), [#1239](https://github.com/Cantera/cantera/pull/1239), [#1240](https://github.com/Cantera/cantera/pull/1240), [#1232](https://github.com/Cantera/cantera/pull/1232), [#1261](https://github.com/Cantera/cantera/pull/1261))
|
||||
- Implement Peng-Robinson equation of state for real gases ([#1047](https://github.com/Cantera/cantera/pull/1047), [#1141](https://github.com/Cantera/cantera/pull/1141), [#1180](https://github.com/Cantera/cantera/pull/1180))
|
||||
- Add Blowers-Masel reaction rate parameterization for gas phase and interface kinetics ([`blowers-masel.py`](https://github.com/Cantera/cantera/blob/2.6/interfaces/cython/cantera/examples/kinetics/blowers_masel.py), [#987](https://github.com/Cantera/cantera/pull/987))
|
||||
- Add calculation of sparse, analytical Jacobians for gas kinetics ([`derivative_speed.cpp`](https://github.com/Cantera/cantera/blob/2.6/samples/cxx/jacobian/derivative_speed.cpp), [#1088](https://github.com/Cantera/cantera/pull/1088), [#1089](https://github.com/Cantera/cantera/pull/1089), [#1212](https://github.com/Cantera/cantera/pull/1212))
|
||||
- Add new phase type and reaction rate parameterizations for plasmas with independent electron temperature ([#1099](https://github.com/Cantera/cantera/pull/1099), [#1166](https://github.com/Cantera/cantera/pull/1166), [#1190](https://github.com/Cantera/cantera/pull/1190))
|
||||
|
||||
### New features
|
||||
- Simplify creation of interface phases and their adjacent bulk phases ([#1169](https://github.com/Cantera/cantera/pull/1169), [#1247](https://github.com/Cantera/cantera/pull/1247))
|
||||
- Add Tsang "falloff" function [#1090](https://github.com/Cantera/cantera/pull/1090)
|
||||
- Add option to allow unnormalized and/or negative mass/mole fractions in `SolutionArray` / 1D flame importers [#1037](https://github.com/Cantera/cantera/pull/1037)
|
||||
- Added access functions to polynomial fits of gas transport properties [#817](https://github.com/Cantera/cantera/pull/817), [#1077](https://github.com/Cantera/cantera/pull/1077)
|
||||
- Add dilution options to equivalence ratio functions in Python [#1206](https://github.com/Cantera/cantera/pull/1206)
|
||||
- Make rate coefficient and standard concentration units available in Python [#1076](https://github.com/Cantera/cantera/pull/1076)
|
||||
- Add creation of Species from Python dict [#1179](https://github.com/Cantera/cantera/pull/1179)
|
||||
- Add thermal conductivity to `DustyGas` in Python [#988](https://github.com/Cantera/cantera/pull/988)
|
||||
- Add `set_mixture_fraction` method to `SolutionArray` [#1242](https://github.com/Cantera/cantera/pull/1242)
|
||||
- Exposed some additional functions to the Fortran interface [#1154](https://github.com/Cantera/cantera/pull/1154)
|
||||
- New C++ custom ODEs example [#922](https://github.com/Cantera/cantera/pull/922)
|
||||
- Added a Python version of the Matlab lithium ion battery example [#1263](https://github.com/Cantera/cantera/pull/1263)
|
||||
- Add support for Sundials 6.0 [#1162](https://github.com/Cantera/cantera/pull/1162)
|
||||
|
||||
### Changes to existing capabilities
|
||||
- Use YAML for saving and loading 1D flame simulations, replacing the XML output format [#1112](https://github.com/Cantera/cantera/pull/1112), [#1140](https://github.com/Cantera/cantera/pull/1140)
|
||||
- Use normal sign convention for reactor heat transfer [#1156](https://github.com/Cantera/cantera/pull/1156)
|
||||
- Separate third-body concentration term from rate constant for three body reactions [#1084](https://github.com/Cantera/cantera/pull/1084)
|
||||
- Translate C++ warnings to Python [#1201](https://github.com/Cantera/cantera/pull/1201)
|
||||
- Refactor SCons option handling and automatically extract compilation options for website documentation [#1137](https://github.com/Cantera/cantera/pull/1137)
|
||||
- Automatically use dependencies from and install into an active Conda environment [#1191](https://github.com/Cantera/cantera/pull/1191)
|
||||
- Include header description in when converting from CTI to YAML [#1205](https://github.com/Cantera/cantera/pull/1205)
|
||||
- Use of deprecated XML or CTI formats now actively issues warnings [#1159](https://github.com/Cantera/cantera/pull/1159)
|
||||
- Support legacy `ruamel.yaml` loaders [#1060](https://github.com/Cantera/cantera/pull/1060)
|
||||
- Update examples to use `h2o2.yaml` instead of GRI 3.0 [#1109](https://github.com/Cantera/cantera/pull/1109)
|
||||
- Prevent inadvertent attribute assignment in `Quantity` [#1124](https://github.com/Cantera/cantera/pull/1124)
|
||||
- Fix issues with composition strings and kinetics model of "None" in `cti2yaml` [#1127](https://github.com/Cantera/cantera/pull/1127)
|
||||
- Deprecate shell setup scripts (`setup_cantera`) [#1189](https://github.com/Cantera/cantera/pull/1189)
|
||||
- Replace deprecated `yaml.safe_load` / simplify paths [#1049](https://github.com/Cantera/cantera/pull/1049)
|
||||
- Read YAML using C++ `newSolution` in Python / access root level data [#1129](https://github.com/Cantera/cantera/pull/1129)
|
||||
- Improve YAML formatting of floating point values and multiline strings [#1133](https://github.com/Cantera/cantera/pull/1133)
|
||||
- Automatically detect unspecified third-body collision partners [#1015](https://github.com/Cantera/cantera/pull/1015)
|
||||
- Various compilation, build system, and test infrastructure updates [#979](https://github.com/Cantera/cantera/pull/979), [#994](https://github.com/Cantera/cantera/pull/994), [#1000](https://github.com/Cantera/cantera/pull/1000), [#1004](https://github.com/Cantera/cantera/pull/1004), [#1012](https://github.com/Cantera/cantera/pull/1012), [#1020](https://github.com/Cantera/cantera/pull/1020), [#1025](https://github.com/Cantera/cantera/pull/1025), [#1034](https://github.com/Cantera/cantera/pull/1034), [#1043](https://github.com/Cantera/cantera/pull/1043), [#1056](https://github.com/Cantera/cantera/pull/1056), [#1062](https://github.com/Cantera/cantera/pull/1062), [#1145](https://github.com/Cantera/cantera/pull/1145), [#1158](https://github.com/Cantera/cantera/pull/1158), [#1102](https://github.com/Cantera/cantera/pull/1102), [#1119](https://github.com/Cantera/cantera/pull/1119), [#1122](https://github.com/Cantera/cantera/pull/1122), [#1144](https://github.com/Cantera/cantera/pull/1144). [#1167](https://github.com/Cantera/cantera/pull/1167), [#1172](https://github.com/Cantera/cantera/pull/1172), [#1176](https://github.com/Cantera/cantera/pull/1176), [#1178](https://github.com/Cantera/cantera/pull/1178), [#1197](https://github.com/Cantera/cantera/pull/1197), [#1208](https://github.com/Cantera/cantera/pull/1208), [#1222](https://github.com/Cantera/cantera/pull/1222), [#1229](https://github.com/Cantera/cantera/pull/1229), [#1241](https://github.com/Cantera/cantera/pull/1241), [#1268](https://github.com/Cantera/cantera/pull/1268)
|
||||
- Various documentation updates [#983](https://github.com/Cantera/cantera/pull/983), [#1002](https://github.com/Cantera/cantera/pull/1002), [#1022](https://github.com/Cantera/cantera/pull/1022), [#1032](https://github.com/Cantera/cantera/pull/1032), [#1045](https://github.com/Cantera/cantera/pull/1045), [#1065](https://github.com/Cantera/cantera/pull/1065), [#1121](https://github.com/Cantera/cantera/pull/1121), [#1142](https://github.com/Cantera/cantera/pull/1142), [#1152](https://github.com/Cantera/cantera/pull/1152), [#1196](https://github.com/Cantera/cantera/pull/1196), [#1200](https://github.com/Cantera/cantera/pull/1200), [#1227](https://github.com/Cantera/cantera/pull/1227), [#1231](https://github.com/Cantera/cantera/pull/1231), [#1234](https://github.com/Cantera/cantera/pull/1234), [#1249](https://github.com/Cantera/cantera/pull/1249), [#1255](https://github.com/Cantera/cantera/pull/1255), [#1264](https://github.com/Cantera/cantera/pull/1264)
|
||||
|
||||
### Bugs fixed
|
||||
- Fix Redlich-Kwong partial molar properties [#1218](https://github.com/Cantera/cantera/pull/1218)
|
||||
- Fix pressure dependence in `IdealSolidSolnPhase::getPartialMolarEnthalpies` [#1087](https://github.com/Cantera/cantera/pull/1087)
|
||||
- Fix evaluation of delta-star polynomials [#1125](https://github.com/Cantera/cantera/pull/1125)
|
||||
- Consistently use physical concentrations when calculating third body and falloff reaction rates, for both specifically enumerated efficiencies and generic third body colliders [#968](https://github.com/Cantera/cantera/pull/968)
|
||||
- Add check for sticking coefficient more than 1 [#1038](https://github.com/Cantera/cantera/pull/1038)
|
||||
- Fix typo in `equivalenceRatio.py` that resulted in printing wrong results [#1173](https://github.com/Cantera/cantera/pull/1173)
|
||||
- Fix memory error when deallocating Python reaction rate wrappers [#1030](https://github.com/Cantera/cantera/pull/1030)
|
||||
- Prevent segmentation fault when initializing standalone Reactor objects [#1063](https://github.com/Cantera/cantera/pull/1063)
|
||||
- Fix extinction temperature definition in `diffusion_flame_extinction.py` example [#1066](https://github.com/Cantera/cantera/pull/1066)
|
||||
- Fix handling of 'CK_Multi' transport model in flame simulations [#1069](https://github.com/Cantera/cantera/pull/1069)
|
||||
- Fix issues with import of `SolutionArray` from CSV [#1074](https://github.com/Cantera/cantera/pull/1074)
|
||||
- Fix `SolutionArray.append` [#1086](https://github.com/Cantera/cantera/pull/1086)
|
||||
- Fix 1D solver errors when reporting singular Jacobian and use of non-default tolerances after automatic grid expansion [#1103](https://github.com/Cantera/cantera/pull/1103)
|
||||
- Suppress output from `setEnergy.m` [#1106](https://github.com/Cantera/cantera/pull/1106)
|
||||
- Fix using reactors with both surface and gas phase chemistry with YAML input [#981](https://github.com/Cantera/cantera/pull/981)
|
||||
- Fix saving 1D output when `radiative_heat_loss` is enabled [#993](https://github.com/Cantera/cantera/pull/993)
|
||||
- Fix CTI to YAML conversion for `transport='None'` [#997](https://github.com/Cantera/cantera/pull/997)
|
||||
- Fix handling of CK mechanisms with '+M' in PLOG reaction equations [#1252](https://github.com/Cantera/cantera/pull/1252)
|
||||
- Fix detection of skipped/undeclared species in three body reactions [#1027](https://github.com/Cantera/cantera/pull/1027)
|
||||
- Fix invalid unchecked cast to `StFlow` [#1226](https://github.com/Cantera/cantera/pull/1226)
|
||||
- Fix `SolutionArray` extra slice [#1204](https://github.com/Cantera/cantera/pull/1204)
|
||||
- Check for valid component name when setting reactor advance limits [#1215](https://github.com/Cantera/cantera/pull/1215)
|
||||
- Fix incorrect temperature bounds and missing entries in `NASA_condensed.yaml` [#1248](https://github.com/Cantera/cantera/pull/1248), [#1250](https://github.com/Cantera/cantera/pull/1250)
|
||||
- Fix logic error in `CanteraTest.assertNear` [#1120](https://github.com/Cantera/cantera/pull/1120)
|
||||
- Fix various compilation / installation issues [#980](https://github.com/Cantera/cantera/pull/980), [#1011](https://github.com/Cantera/cantera/pull/1011), [#1052](https://github.com/Cantera/cantera/pull/1052), [#1057](https://github.com/Cantera/cantera/pull/1057), [#1100](https://github.com/Cantera/cantera/pull/1100), [#1105](https://github.com/Cantera/cantera/pull/1105), [#1107](https://github.com/Cantera/cantera/pull/1107), [#1110](https://github.com/Cantera/cantera/pull/1110), [#1116](https://github.com/Cantera/cantera/pull/1116), [#1123](https://github.com/Cantera/cantera/pull/1123), [#1148](https://github.com/Cantera/cantera/pull/1148), [#1161](https://github.com/Cantera/cantera/pull/1161), [#1168](https://github.com/Cantera/cantera/pull/1168), [#1171](https://github.com/Cantera/cantera/pull/1171), [#1265](https://github.com/Cantera/cantera/pull/1265)
|
||||
|
||||
The complete list of changes can be found [here](https://github.com/Cantera/cantera/wiki/Cantera-2.6.0-Changelog).
|
||||
|
||||
## Installation
|
||||
|
||||
Instructions for installing Cantera 2.6 are available on the [Cantera website](https://cantera.org/install/index.html). Available options include Conda; pip; native installers for Windows and macOS; packages for Ubuntu, Fedora/Enterprise Linux, Gentoo, and FreeBSD; and compiling from source.
|
||||
|
||||
## Contributors
|
||||
This release was made possible by the following contributors: [@anthony-walker](https://github.com/anthony-walker), [@band-a-prend](https://github.com/band-a-prend), [@BangShiuh](https://github.com/BangShiuh), [@blackrabbit17](https://github.com/blackrabbit17), [@bryanwweber](https://github.com/bryanwweber), [@12Chao](https://github.com/12Chao), [@chinahg](https://github.com/chinahg), [@DavidAkinpelu](https://github.com/DavidAkinpelu), [@d-e-t](https://github.com/d-e-t), [@decaluwe](https://github.com/decaluwe), [@dschmider-HSOG](https://github.com/Cantera/cantera/commits?author=dschmider-HSOG), [@g3bk47](https://github.com/g3bk47), [@gkogekar](https://github.com/gkogekar), [@ischoegl](https://github.com/ischoegl), [@jongyoonbae](https://github.com/jongyoonbae), [@lavdwall](https://github.com/lavdwall), [@leesharma](https://github.com/leesharma), [@mefuller](https://github.com/mefuller), [@paulblum](https://github.com/paulblum), [@santoshshanbhogue](https://github.com/santoshshanbhogue), [@speth](https://github.com/speth), [@stijn76](https://github.com/stijn76), [@tpg2114](https://github.com/tpg2114)
|
||||
100
doc/sphinx/reference/releasenotes/v3.0.md
Normal file
100
doc/sphinx/reference/releasenotes/v3.0.md
Normal file
@@ -0,0 +1,100 @@
|
||||
# Cantera 3.0.0
|
||||
|
||||
Published on August 22, 2023 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v3.0.0)
|
||||
|
||||
The Cantera development team is pleased to announce the availability of Cantera 3.0.0. There have been over [1400 commits](https://github.com/Cantera/cantera/wiki/Cantera-3.0.0-Changelog) to Cantera since the last version, 2.6.0, which was released in May 2022. We have closed or merged [192 pull requests](https://github.com/Cantera/cantera/pulls?q=is%3Apr+merged%3A2022-05-01..2023-08-22+is%3Aclosed) and closed [111 issues](https://github.com/Cantera/cantera/issues?q=is%3Aissue+closed%3A2022-05-01..2023-08-22+is%3Aclosed). Instructions for installing Cantera 3.0 are available on the [Cantera website](/install/index).
|
||||
|
||||
## Highlights
|
||||
|
||||
- Major performance enhancements for reactor network calculations with large kinetic mechanisms. This comes from a new formulation for the reactor governing equations using species moles (rather than mass fractions) used together with a sparse, iterative solver in the ODE integrator that makes use of a semi-analytical Jacobian. ([`preconditioned_integration.py`](/examples/python/reactors/preconditioned_integration), [#1010](https://github.com/Cantera/cantera/pull/1010), [#1344](https://github.com/Cantera/cantera/pull/1344), [#1363](https://github.com/Cantera/cantera/pull/1363), [#1377](https://github.com/Cantera/cantera/pull/1377), [#1411](https://github.com/Cantera/cantera/pull/1411))
|
||||
- Introduce `ExtensibleRate` Python class that can be used to implement new reaction rate parameterizations in Python, with parameters defined in YAML input files. These rate types can be used even when the main user application is not written in Python. (class {py:class}`~cantera.ExtensibleRate`), [`custom_reactions.py`](/examples/python/kinetics/custom_reactions), [#1382](https://github.com/Cantera/cantera/pull/1382), [#1417](https://github.com/Cantera/cantera/pull/1417), [#1456](https://github.com/Cantera/cantera/pull/1456), [#1478](https://github.com/Cantera/cantera/pull/1478), [#1494](https://github.com/Cantera/cantera/pull/1494), [#1499](https://github.com/Cantera/cantera/pull/1499))
|
||||
- Introduce a C++ `SolutionArray` class, which is now used as the backend for the Python `SolutionArray` class ([E#137](https://github.com/Cantera/enhancements/issues/137), [#1385](https://github.com/Cantera/cantera/pull/1385), [#1426](https://github.com/Cantera/cantera/pull/1426), [#1458](https://github.com/Cantera/cantera/pull/1458), [#1462](https://github.com/Cantera/cantera/pull/1462), [#1464](https://github.com/Cantera/cantera/pull/1464), [#1508](https://github.com/Cantera/cantera/pull/1508), [#1520](https://github.com/Cantera/cantera/pull/1520), [#1547](https://github.com/Cantera/cantera/pull/1547), [#1585](https://github.com/Cantera/cantera/pull/1585))
|
||||
- Add "native" support for HDF5 as an input/output format for `SolutionArray` and 1D flames ([E#166](https://github.com/Cantera/enhancements/issues/166), [`flame_initial_guess.py`](/examples/python/onedim/flame_initial_guess))
|
||||
- Add a new thermo model, `coverage-dependent-surface` for representing surfaces where the enthalpy, entropy, and heat capacity of each species may depend on its coverage and the coverage of other species in the phase. (class {ct}`CoverageDependentSurfPhase`, [E#59](https://github.com/Cantera/enhancements/issues/59), [#1135](https://github.com/Cantera/cantera/pull/1135), [#1471](https://github.com/Cantera/cantera/pull/1471), [#1529](https://github.com/Cantera/cantera/pull/1529), [#1583](https://github.com/Cantera/cantera/pull/1583))
|
||||
- Add support for surface chemistry to the plug flow reactor model (class {py:class}`~cantera.FlowReactor`, [`1D_pfr_surfchem.py`](/examples/python/surface_chemistry/1D_pfr_surfchem), [`surf_pfr.py`](/examples/python/reactors/surf_pfr), [#1490](https://github.com/Cantera/cantera/pull/1490))
|
||||
- Add support for using real gas models (Redlich-Kwong and Peng-Robinson) with the 1D flame solver ([E#109](https://github.com/Cantera/enhancements/issues/109), [#1079](https://github.com/Cantera/cantera/pull/1079))
|
||||
- Introduction of the `yaml2ck` script, which converts Cantera's YAML mechanism format into the legacy Chemkin format. ([`yaml2ck.py`](/yaml/yaml2ck), [E#52](https://github.com/Cantera/enhancements/issues/52), [#1286](https://github.com/Cantera/cantera/pull/1286), [#1365](https://github.com/Cantera/cantera/pull/1365), [#1420](https://github.com/Cantera/cantera/pull/1420))
|
||||
- Add an experimental Python module where Cantera returns dimensional values as quantities using the `pint` package. This is currently available only for thermo methods ([module `cantera.with_units`](/python/units), [`isentropic_units.py`](/examples/python/thermo/isentropic_units), [`rankine_units.py`](/examples/python/thermo/rankine_units), [`sound_speed_units.py`](/examples/python/thermo/sound_speed_units), [E#3](https://github.com/Cantera/enhancements/issues/3), [#991](https://github.com/Cantera/cantera/pull/991), [#1569](https://github.com/Cantera/cantera/pull/1569))
|
||||
- Preview release of a new Matlab toolbox, with a rewritten API that makes use of modern Matlab features and replaces the difficult-to-maintain MEX-file based backend with one based on using `calllib` to interact directly with the Cantera C interface. (For the adventurous, see [`README.md`](https://github.com/Cantera/cantera/blob/main/interfaces/matlab_experimental/readme.md), [E#32](https://github.com/Cantera/enhancements/issues/32), [#1182](https://github.com/Cantera/cantera/pull/1182), [#1496](https://github.com/Cantera/cantera/pull/1496), [#1498](https://github.com/Cantera/cantera/pull/1498))
|
||||
- Preview release of a new C# interface. See [`README.md`](https://github.com/Cantera/cantera/blob/main/interfaces/dotnet/README.md) for more on what's implemented and how to contribute ([#1331](https://github.com/Cantera/cantera/pull/1331), [#1401](https://github.com/Cantera/cantera/pull/1401))
|
||||
|
||||
## New features
|
||||
|
||||
- Add support for polynomial dependency of activation energy on surface species coverages ([documentation](sec-yaml-interface-Arrhenius), [#1495](https://github.com/Cantera/cantera/pull/1495))
|
||||
- Add speed of sound property to `ThermoPhase` objects ([`sound_speed.py`](/examples/python/thermo/sound_speed), [#1491](https://github.com/Cantera/cantera/pull/1491))
|
||||
- Implemented isothermal compressibility and thermal expansion coefficient calculations for Redlich-Kwong and Peng-Robinson equations of state ([E#122](https://github.com/Cantera/enhancements/issues/122), [#1421](https://github.com/Cantera/cantera/pull/1421))
|
||||
- Add `interfaceCurrent` (C++) and `interface_current` methods to `Kinetics` objects ([#1398](https://github.com/Cantera/cantera/pull/1398))
|
||||
- Add molecular weight attribute to `Species` objects ([#1266](https://github.com/Cantera/cantera/pull/1266))
|
||||
- Add `set_equivalence_ratio` and `set_mixture_fraction` methods to Python `Quantity` objects ([#1517](https://github.com/Cantera/cantera/pull/1517))
|
||||
- Add array size methods to Python `SolutionArray` class ([#1284](https://github.com/Cantera/cantera/pull/1284))
|
||||
- Add `Solution` class to `clib` ([#1448](https://github.com/Cantera/cantera/pull/1448), [#1600](https://github.com/Cantera/cantera/pull/1600))
|
||||
- Introduce factory for creating 1D domains (`newDomain` in C++, `domain_new` in `clib`) ([#1445](https://github.com/Cantera/cantera/pull/1445))
|
||||
- Introduce factory for creating functor objects (`newFunc1` in C++; `func_new_basic`, `func_new_advanced`, `func_new_compound`, and `func_new_modified` in `clib`; and `Func1.cxx_functor` in Python) (<a href="../../cxx/dc/d4c/group__func1.html">documentation</a>, [#1513](https://github.com/Cantera/cantera/pull/1513), [#1521](https://github.com/Cantera/cantera/pull/1521))
|
||||
- Provide a more complete interface to the C++ `Units` class in Python ([#1285](https://github.com/Cantera/cantera/pull/1285))
|
||||
- Add a sample program demonstrating the use of the Cantera C interface, `clib` ([#1454](https://github.com/Cantera/cantera/pull/1454))
|
||||
- Add an example of modelling a porous media burner using the `ExtensibleReactor` class ([`PorousMediaBurner.py`](/examples/python/reactors/PorousMediaBurner), [#1443](https://github.com/Cantera/cantera/pull/1443))
|
||||
- Add an example demonstrating saving and loading of 1D flame simulations and restarting with different initial guesses ([`flame_initial_guess.py`](/examples/python/onedim/flame_initial_guess), [#1293](https://github.com/Cantera/cantera/pull/1293))
|
||||
- The test suite now includes a comprehensive set of thermodynamic consistency tests for all phase models ([E#114](https://github.com/Cantera/enhancements/issues/114), [#1299](https://github.com/Cantera/cantera/pull/1299), [#1501](https://github.com/Cantera/cantera/pull/1501))
|
||||
- Consolidate literature references in the C++ documentation into a <a href="../../cxx/d0/de3/citelist.html">bibliography</a> ([#1550](https://github.com/Cantera/cantera/pull/1550), [#1575](https://github.com/Cantera/cantera/pull/1575))
|
||||
- Enable linking to the Cantera shared library on Windows ([E#140](https://github.com/Cantera/enhancements/issues/140), [#1429](https://github.com/Cantera/cantera/pull/1429))
|
||||
- Split up compilation of the Python module to allow parallel builds and faster incremental builds ([#1334](https://github.com/Cantera/cantera/pull/1334), [#1484](https://github.com/Cantera/cantera/pull/1484))
|
||||
- Automatically detect and use optimized BLAS/LAPACK libraries when compiling ([E#144](https://github.com/Cantera/enhancements/issues/144), [#1316](https://github.com/Cantera/cantera/pull/1316))
|
||||
- Add new `core.h` header file to simplify required includes for high-level Cantera usage ([`demo.cpp`](/examples/cxx/demo), [#1238](https://github.com/Cantera/cantera/pull/1238))
|
||||
- Added support for Python 3.11 and dropped support for Python 3.7 ([#1326](https://github.com/Cantera/cantera/pull/1326), [#1406](https://github.com/Cantera/cantera/pull/1406), [#1467](https://github.com/Cantera/cantera/pull/1467))
|
||||
- Added support for SUNDIALS versions up to 6.6.0 and dropped support for SUNDIALS 2.x ([#1341](https://github.com/Cantera/cantera/pull/1341), [#1570](https://github.com/Cantera/cantera/pull/1570))
|
||||
- Add support for building MATLAB toolbox on Apple Silicon ([#1524](https://github.com/Cantera/cantera/pull/1524))
|
||||
- Added SCons option to set `AR` (for example, to use `llvm-ar` instead of `ar`) ([#1424](https://github.com/Cantera/cantera/pull/1424))
|
||||
|
||||
## Changes to existing capabilities
|
||||
|
||||
- `BulkKinetics` now handles kinetics for any bulk phase, given the appropriate reaction rate parameterizations. As a result, `GasKinetics` is deprecated in favor of `BulkKinetics` ([#1483](https://github.com/Cantera/cantera/pull/1483))
|
||||
- Rename C++ phase setter mnemonics to use `D` for density instead of `R` for rho, for example `setState_TR` is deprecated in favor of `setState_TD` ([#1433](https://github.com/Cantera/cantera/pull/1433))
|
||||
- Introduce properties for certain reactor features in Python and deprecate the old getter/setter methods. `ReactorNet.initial_time` replaces `ReactorNet.set_initial_time()`, `Wall.velocity` replaces `Wall.set_velocity()`, `Wall.heat_flux` replaces `Wall.set_heat_flux()`, `Wall.expansion_rate` replaces `wall.vdot`, `Wall.heat_rate` replaces `wall.qdot()`, `Valve.time_function` replaces `Valve.set_time_function()`, `MassFlowController.pressure_function` replaces `MassFlowController.set_pressure_function()` and `PressureController.primary` replaces `PressureController.set_master()` ([E#160](https://github.com/Cantera/enhancements/issues/160), [#1515](https://github.com/Cantera/cantera/pull/1515))
|
||||
- Improve ability to find non-extinct diffusion flames when using the "auto" solver mode ([E#155](https://github.com/Cantera/enhancements/issues/155), [#1463](https://github.com/Cantera/cantera/pull/1463))
|
||||
- Guard against combining Python `Quantity` objects at constant enthalpy and pressure if their pressures aren't equal ([#1517](https://github.com/Cantera/cantera/pull/1517))
|
||||
- Allow transport geometry flags in Chemkin input files that are formatted as floating point values ([#1396](https://github.com/Cantera/cantera/pull/1396))
|
||||
- Disable irrelevant warnings for extinct diffusion flames ([#1336](https://github.com/Cantera/cantera/pull/1336))
|
||||
- Moved Python test suite and examples out of the Python module; they are no longer installed as part of the Cantera Python package. ([E#51](https://github.com/Cantera/enhancements/issues/51), [#1352](https://github.com/Cantera/cantera/pull/1352), [#1354](https://github.com/Cantera/cantera/pull/1354))
|
||||
- Drop support for generating `Makefile`s for samples ([#1380](https://github.com/Cantera/cantera/pull/1380))
|
||||
- Drop support for compiling in Cygwin ([E#134](https://github.com/Cantera/enhancements/issues/134), [#1367](https://github.com/Cantera/cantera/pull/1367))
|
||||
- Migrate to C++17 standard, make use of modern C++ features, and make various style improvements to the C++ code ([E#181](https://github.com/Cantera/enhancements/issues/181), [E#184](https://github.com/Cantera/enhancements/issues/184), [#1246](https://github.com/Cantera/cantera/pull/1246), [#1327](https://github.com/Cantera/cantera/pull/1327), [#1346](https://github.com/Cantera/cantera/pull/1346), [#1438](https://github.com/Cantera/cantera/pull/1438), [#1441](https://github.com/Cantera/cantera/pull/1441), [#1452](https://github.com/Cantera/cantera/pull/1452), [#1507](https://github.com/Cantera/cantera/pull/1507), [#1565](https://github.com/Cantera/cantera/pull/1565), [#1568](https://github.com/Cantera/cantera/pull/1568), [#1571](https://github.com/Cantera/cantera/pull/1571), [#1589](https://github.com/Cantera/cantera/pull/1589))
|
||||
- Numerous improvements to the organization and formatting of the Doxygen and Sphinx documentation, in part by using `doxygen-awesome` and the PyData Sphinx theme([E#115](https://github.com/Cantera/enhancements/issues/115), [E#175](https://github.com/Cantera/enhancements/issues/175), [E#179](https://github.com/Cantera/enhancements/issues/179), [#1279](https://github.com/Cantera/cantera/pull/1279), [#1427](https://github.com/Cantera/cantera/pull/1427), [#1518](https://github.com/Cantera/cantera/pull/1518), [#1534](https://github.com/Cantera/cantera/pull/1534), [#1541](https://github.com/Cantera/cantera/pull/1541), [#1543](https://github.com/Cantera/cantera/pull/1543), [#1546](https://github.com/Cantera/cantera/pull/1546), [#1551](https://github.com/Cantera/cantera/pull/1551), [#1557](https://github.com/Cantera/cantera/pull/1557), [#1558](https://github.com/Cantera/cantera/pull/1558), [#1559](https://github.com/Cantera/cantera/pull/1559), [#1561](https://github.com/Cantera/cantera/pull/1561), [#1562](https://github.com/Cantera/cantera/pull/1562), [#1563](https://github.com/Cantera/cantera/pull/1563), [#1567](https://github.com/Cantera/cantera/pull/1567), [#1572](https://github.com/Cantera/cantera/pull/1572), [#1573](https://github.com/Cantera/cantera/pull/1573), [#1582](https://github.com/Cantera/cantera/pull/1582), [#1581](https://github.com/Cantera/cantera/pull/1581), [#1584](https://github.com/Cantera/cantera/pull/1584), [#1590](https://github.com/Cantera/cantera/pull/1590))
|
||||
- Various improvements to the SCons build system ([#1268](https://github.com/Cantera/cantera/pull/1268), [#1307](https://github.com/Cantera/cantera/pull/1307), [#1351](https://github.com/Cantera/cantera/pull/1351), [#1360](https://github.com/Cantera/cantera/pull/1360), [#1404](https://github.com/Cantera/cantera/pull/1404), [#1470](https://github.com/Cantera/cantera/pull/1470), [#1472](https://github.com/Cantera/cantera/pull/1472), [#1509](https://github.com/Cantera/cantera/pull/1509), [#1542](https://github.com/Cantera/cantera/pull/1542))
|
||||
- Updates to simplify the special behavior that implements different 1D flame types and boundary conditions ([E#165](https://github.com/Cantera/enhancements/issues/165), [E#171](https://github.com/Cantera/enhancements/issues/171), [#1477](https://github.com/Cantera/cantera/pull/1477), [#1514](https://github.com/Cantera/cantera/pull/1514), [#1523](https://github.com/Cantera/cantera/pull/1523), [#1531](https://github.com/Cantera/cantera/pull/1531), [#1555](https://github.com/Cantera/cantera/pull/1555))
|
||||
- Make use of C++ `Solution` objects in `Domain1D` and related classes ([#1345](https://github.com/Cantera/cantera/pull/1345), [#1384](https://github.com/Cantera/cantera/pull/1384), [#1444](https://github.com/Cantera/cantera/pull/1444), [#1594](https://github.com/Cantera/cantera/pull/1594), [#1598](https://github.com/Cantera/cantera/pull/1598))
|
||||
- Improved error handling for clib `thermo_setDensity` and `thermo_setMolarDensity` methods ([#1413](https://github.com/Cantera/cantera/pull/1413))
|
||||
- Speed up Python module import by deferring imports of optional dependencies ([#1428](https://github.com/Cantera/cantera/pull/1428))
|
||||
- Link Python `list_data_files` to C++ `getDataDirectories` ([#1358](https://github.com/Cantera/cantera/pull/1358))
|
||||
- Remove features deprecated in Cantera 2.6. Principally, this includes legacy reaction rate types ([#1292](https://github.com/Cantera/cantera/pull/1292)) and the CTI/XML input formats ([#1291](https://github.com/Cantera/cantera/pull/1291))
|
||||
- Deprecate remaining specializations of `Reaction` class and obsolete methods that were used by legacy reaction rate evaluators ([E#149](https://github.com/Cantera/enhancements/issues/149), [#1295](https://github.com/Cantera/cantera/pull/1295), [#1333](https://github.com/Cantera/cantera/pull/1333))
|
||||
- Deprecate other untested, unused and/or obsolete code (<a href="../../cxx/da/d58/deprecated.html">C++ Deprecations</a>, [#1455](https://github.com/Cantera/cantera/pull/1455), [#1504](https://github.com/Cantera/cantera/pull/1504))
|
||||
- Improve deprecation warnings issued from Python to include the name of the deprecated method and to show the line where that function is called from ([#1519](https://github.com/Cantera/cantera/pull/1519))
|
||||
|
||||
## Bugs fixed
|
||||
|
||||
- Fixed thermodynamic consistency issues with `SurfPhase` and `RedlichKisterVPSSTP` ([#1449](https://github.com/Cantera/cantera/pull/1449))
|
||||
- Fixed thermodynamic consistency errors in IAPWS water equation of state ([#1394](https://github.com/Cantera/cantera/pull/1394))
|
||||
- Fixed thermodynamic consistency issues in `IdealSolidSolnPhase` and `BinarySolutionTabulatedThermo` ([#1442](https://github.com/Cantera/cantera/pull/1442))
|
||||
- Fix calculation of electron enthalpy contribution in `PlasmaPhase` ([#1323](https://github.com/Cantera/cantera/pull/1323))
|
||||
- Fix setting reference pressure for a phase by setting the reference pressure of the individual species ([#1503](https://github.com/Cantera/cantera/pull/1503))
|
||||
- Fix issues with "volume" and compressibility of `SurfPhase` ([#1350](https://github.com/Cantera/cantera/pull/1350))
|
||||
- Handle factorization errors in equilibrium initial estimator ([#1479](https://github.com/Cantera/cantera/pull/1479))
|
||||
- Make helpful errors for invalid reactions work more consistently ([#1330](https://github.com/Cantera/cantera/pull/1330), [#1356](https://github.com/Cantera/cantera/pull/1356))
|
||||
- Fix serialization of phases with reactions from multiple YAML sections ([#1552](https://github.com/Cantera/cantera/pull/1552))
|
||||
- Fix loading serialized mechanisms where reactions contain undeclared third bodies ([#1588](https://github.com/Cantera/cantera/pull/1588))
|
||||
- Fix cases where three-body reactions were not being automatically detected ([#1338](https://github.com/Cantera/cantera/pull/1338))
|
||||
- Fix possible segfaults when using Python `CustomRate` ([#1293](https://github.com/Cantera/cantera/pull/1293))
|
||||
- Partial fix for PLOG validation at low temperatures ([#1553](https://github.com/Cantera/cantera/pull/1553))
|
||||
- Fix default `atol` used in `ReactorNet.advance_to_steady_state` ([#1305](https://github.com/Cantera/cantera/pull/1305))
|
||||
- Fix reading arrays containing subnormal floating point values ([#1545](https://github.com/Cantera/cantera/pull/1545))
|
||||
- Fix adding Python `Quantity` objects when using molar basis ([#1517](https://github.com/Cantera/cantera/pull/1517))
|
||||
- Add missing array properties to `SolutionArray` and `FlameBase` ([#1342](https://github.com/Cantera/cantera/pull/1342))
|
||||
- Fix [`surf_pfr_chain.py`](/examples/python/reactors/surf_pfr_chain) example to avoid misleading use of perturbed `Solution` objects ([#1304](https://github.com/Cantera/cantera/pull/1304))
|
||||
- Fix Matlab samples to resolve issues from transition to YAML input files ([#1414](https://github.com/Cantera/cantera/pull/1414))
|
||||
- Fix numerous build issues for certain configurations and platforms ([#1272](https://github.com/Cantera/cantera/pull/1272), [#1362](https://github.com/Cantera/cantera/pull/1362), [#1364](https://github.com/Cantera/cantera/pull/1364), [#1366](https://github.com/Cantera/cantera/pull/1366), [#1378](https://github.com/Cantera/cantera/pull/1378), [#1381](https://github.com/Cantera/cantera/pull/1381), [#1390](https://github.com/Cantera/cantera/pull/1390), [#1434](https://github.com/Cantera/cantera/pull/1434), [#1437](https://github.com/Cantera/cantera/pull/1437), [#1505](https://github.com/Cantera/cantera/pull/1505), [#1511](https://github.com/Cantera/cantera/pull/1511), [#1538](https://github.com/Cantera/cantera/pull/1538), [#1544](https://github.com/Cantera/cantera/pull/1544), [#1574](https://github.com/Cantera/cantera/pull/1574), [#1591](https://github.com/Cantera/cantera/pull/1591))
|
||||
- Various documentation updates ([#1276](https://github.com/Cantera/cantera/pull/1276), [#1296](https://github.com/Cantera/cantera/pull/1296), [#1328](https://github.com/Cantera/cantera/pull/1328), [#1335](https://github.com/Cantera/cantera/pull/1335))
|
||||
|
||||
|
||||
## Contributors
|
||||
|
||||
This release was made possible by the following contributors: [@anthony-walker](https://github.com/anthony-walker), [@arghdos](https://github.com/arghdos), [@band-a-prend](https://github.com/band-a-prend), [@BangShiuh](https://github.com/BangShiuh), [@bryanwweber](https://github.com/bryanwweber), [@burkenyo](https://github.com/burkenyo), [@c-randall](https://github.com/c-randall), [@cdeil](https://github.com/cdeil), [@chinahg](https://github.com/chinahg), [@corykinney](https://github.com/corykinney), [@decaluwe](https://github.com/decaluwe), [@g3bk47](https://github.com/g3bk47), [@gkogekar](https://github.com/gkogekar), [@hallaali](https://github.com/hallaali), [@ischoegl](https://github.com/ischoegl), [@jongyoonbae](https://github.com/jongyoonbae), [@kyleniemeyer](https://github.com/kyleniemeyer), [@mefuller](https://github.com/mefuller), [@rwest](https://github.com/rwest), [@speth](https://github.com/speth), [@ssun30](https://github.com/ssun30), [@tsikes](https://github.com/tsikes), [@yeanment](https://github.com/yeanment), [@yurivict](https://github.com/yurivict)
|
||||
Reference in New Issue
Block a user