-
-
Notifications
You must be signed in to change notification settings - Fork 349
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Draft release notes for Cantera 3.1.0
- Loading branch information
Showing
2 changed files
with
78 additions
and
0 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -3,6 +3,7 @@ | |
| ```{toctree} | ||
| :maxdepth: 1 | ||
| v3.1 | ||
| v3.0 | ||
| v2.6 | ||
| v2.5 | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,77 @@ | ||
| # Cantera 3.1.0b1 | ||
|
|
||
| Published on November 10, 2024 | [Full release on GitHub](https://github.com/Cantera/cantera/releases/tag/v3.1.0b1) | ||
|
|
||
| The Cantera development team is pleased to announce the availability of Cantera 3.1.0. There have been over [1400 commits](https://github.com/Cantera/cantera/wiki/Cantera-3.1.0-Changelog) to Cantera since the last version, 3.0.0, which was released in August 2023. We have closed or merged [112 pull requests](https://github.com/Cantera/cantera/pulls?q=is%3Apr+merged%3A2023-08-23..2024-11-10+is%3Aclosed) and closed [75 issues](https://github.com/Cantera/cantera/issues?q=is%3Aissue+closed%3A2023-08-23..2024-11-10+is%3Aclosed) and [23 enhancement proposals](https://github.com/Cantera/enhancements/issues?q=is:issue+closed:2023-08-23..2024-11-10+is:closed). Instructions for installing Cantera 3.1 are available on the [Cantera website](/install/index). | ||
|
|
||
| ## Highlights | ||
| - Render [examples](/examples/python/index) using Sphinx-gallery ([#1621](https://github.com/Cantera/cantera/pull/1621), [#1681](https://github.com/Cantera/cantera/pull/1681), [#1724](https://github.com/Cantera/cantera/pull/1724), [E#88](https://github.com/Cantera/enhancements/issues/88)) | ||
| - Added visualizations of reactor networks; see [`mix1.py`](/examples/python/reactors/mix1) and [`reactor2.py`](/examples/python/reactors/reactor2) ([E#180](https://github.com/Cantera/enhancements/issues/180), [#1624](https://github.com/Cantera/cantera/pull/1624), [#1714](https://github.com/Cantera/cantera/pull/1714), [#1792](https://github.com/Cantera/cantera/pull/1792), [E#212](https://github.com/Cantera/enhancements/issues/212)) | ||
| - Added ability to solve diffusion flames on the unstable branch using control of the temperature at two interior points; see [`diffusion_flame_continuation.py`](/examples/python/onedim/diffusion_flame_continuation) ([#1622](https://github.com/Cantera/cantera/pull/1622), [#1779](https://github.com/Cantera/cantera/pull/1779)) | ||
| - Added the [`linear-Burke`](sec-linear-Burke) reaction rate parameterization which models pressure-dependent reactions with collider-specific behavior; see [`shock_tube.py`](/examples/python/kinetics/shock_tube), [`jet_stirred_reactor.py`](/examples/python/kinetics/jet_stirred_reactor), and [`flame_speed.py`](/examples/python/onedim/flame_speed) ([E#157](https://github.com/Cantera/enhancements/issues/157), [#1710](https://github.com/Cantera/cantera/pull/1710), [#1801](https://github.com/Cantera/cantera/pull/1801)) | ||
| - Major expansion of documentation for [contributing to Cantera](/develop/index) and [understanding its internal workings](/reference/onedim/index) ([E#25](https://github.com/Cantera/enhancements/issues/25), [#1700](https://github.com/Cantera/cantera/pull/1700), [#1757](https://github.com/Cantera/cantera/pull/1757), [#1786](https://github.com/Cantera/cantera/pull/1786)) | ||
| - Update website structure to keep all version-specific documentation together and simplify URLs ([E#145](https://github.com/Cantera/enhancements/issues/145), [E#146](https://github.com/Cantera/enhancements/issues/146), [#1631](https://github.com/Cantera/cantera/pull/1631), [#1638](https://github.com/Cantera/cantera/pull/1638), [#1647](https://github.com/Cantera/cantera/pull/1647), [#1657](https://github.com/Cantera/cantera/pull/1657), [#1657](https://github.com/Cantera/cantera/pull/1657), [#1737](https://github.com/Cantera/cantera/pull/1737), [#1766](https://github.com/Cantera/cantera/pull/1766), [#1790](https://github.com/Cantera/cantera/pull/1790)) | ||
| - Significant refactoring of the `clib` interface, which is now declared *experimental* and subject to API changes without receiving deprecation warnings. ([E#211](https://github.com/Cantera/enhancements/issues/211), [E#199](https://github.com/Cantera/enhancements/issues/199), [#1741](https://github.com/Cantera/cantera/pull/1741), [#1752](https://github.com/Cantera/cantera/pull/1752), [#1760](https://github.com/Cantera/cantera/pull/1760), [#1769](https://github.com/Cantera/cantera/pull/1769), [#1773](https://github.com/Cantera/cantera/pull/1773), [#1780](https://github.com/Cantera/cantera/pull/1780)) | ||
|
|
||
| ## New features | ||
| - Add electron collision reactions (C++ class {ct}`ElectronCollisionPlasmaRate`) based on cross section data from the LXCat database; see [`plasma.py`](/examples/python/reactors/plasma) ([#1262](https://github.com/Cantera/cantera/pull/1262)) | ||
| - Added an example demonstrating a 1D packed-bed reactor; see [`1D_packed_bed.py`](/examples/python/reactors/1D_packed_bed) ([E#43](https://github.com/Cantera/enhancements/issues/43)) | ||
| - Added option to compute diffusive fluxes using mass fraction gradients in the 1D solver ([E#195](https://github.com/Cantera/enhancements/issues/195), [#1668](https://github.com/Cantera/cantera/pull/1668)) | ||
| - Expose Peng-Robinson EoS parameters to Python interface ([#1664](https://github.com/Cantera/cantera/pull/1664)) | ||
| - Created a new repository to clearly identify example input data and allow use of larger, more detailed mechanisms ([E#22](https://github.com/Cantera/enhancements/issues/22), [#1689](https://github.com/Cantera/cantera/pull/1689)) | ||
| - Add HDF5 support to PyPI packages ([E#205](https://github.com/Cantera/enhancements/issues/205), ([#1727](https://github.com/Cantera/cantera/pull/1727)) | ||
| - Add stack trace option to `CanteraError` for enhanced debugging ([#1730](https://github.com/Cantera/cantera/pull/1730)) | ||
| - Enable cross compiling support without patches to simplify some package builds ([E#210](https://github.com/Cantera/enhancements/issues/210), [#1749](https://github.com/Cantera/cantera/pull/1749)) | ||
| - Add support for Python 3.12 ([#1604](https://github.com/Cantera/cantera/pull/1604), [#1648](https://github.com/Cantera/cantera/pull/1648), [#1716](https://github.com/Cantera/cantera/pull/1716)) | ||
| - Add compatibility with SUNDIALS 7.0 ([#1672](https://github.com/Cantera/cantera/pull/1672)) | ||
| - Add compatibility with NumPy 2.0 ([#1706](https://github.com/Cantera/cantera/pull/1706), [#1713](https://github.com/Cantera/cantera/pull/1713)) | ||
| - Support compilation in C++20 mode ([#1739](https://github.com/Cantera/cantera/pull/1739)) | ||
| - Automatically adjust temperature bounds for low-temperature flames ([#1684](https://github.com/Cantera/cantera/issues/1684), [#1705](https://github.com/Cantera/cantera/pull/1705)) | ||
|
|
||
| ## Changes to existing capabilities | ||
| - Refactored implementation of 1D flame governing equations ([#1595](https://github.com/Cantera/cantera/pull/1595), [#1619](https://github.com/Cantera/cantera/pull/1619)) | ||
| - Improvements to 1D solver logging ([#1660](https://github.com/Cantera/cantera/pull/1660), [#1759](https://github.com/Cantera/cantera/pull/1759)) | ||
| - Significant improvements to error messages reported when converting mechanisms using `ck2yaml` ([#1669](https://github.com/Cantera/cantera/pull/1669), [#1736](https://github.com/Cantera/cantera/pull/1736)) | ||
| - Improved handling of edge cases involving third body colliders and "duplicate" reactions ([#1696](https://github.com/Cantera/cantera/pull/1696)) | ||
| - Improve distinction between selecting `none` and `default` transport models ([#1680](https://github.com/Cantera/cantera/issues/1680), [#1705](https://github.com/Cantera/cantera/pull/1705)) | ||
| - Improve error message for flames initialized with bad boundary conditions ([#1694](https://github.com/Cantera/cantera/issues/1694), [#1705](https://github.com/Cantera/cantera/pull/1705)) | ||
| - Disallow redundant flame grid specification ([#1693](https://github.com/Cantera/cantera/issues/1693), [#1705](https://github.com/Cantera/cantera/pull/1705)) | ||
| - Simplify YAML input for extensible interface reactions ([#1709](https://github.com/Cantera/cantera/pull/1709)) | ||
| - Improve consistency of `Func1` API between Matlab and Python interfaces ([#1758](https://github.com/Cantera/cantera/pull/1758), [#1798](https://github.com/Cantera/cantera/pull/1798)) | ||
| - Use `Solution` objects to store reactor contents ([#1663](https://github.com/Cantera/cantera/pull/1663), [#1685](https://github.com/Cantera/cantera/pull/1685)) | ||
| - Move locks that prevent adding species to `ThermoPhase` objects that are in use from Python to C++ ([#1686](https://github.com/Cantera/cantera/pull/1686)) | ||
| - Use Jinja templates in C# `sourcegen` ([#1785](https://github.com/Cantera/cantera/pull/1785)) | ||
| - Update `ck2yaml` to use `argparse` ([#1616](https://github.com/Cantera/cantera/pull/1616)) | ||
| - Make names generated for reactor network objects reproducible ([#1765](https://github.com/Cantera/cantera/pull/1765)) | ||
| - Make generated sources and error messages deterministic ([#1804](https://github.com/Cantera/cantera/pull/1804)) | ||
| - Remove features deprecated in Cantera 3.0. ([#1605](https://github.com/Cantera/cantera/pull/1605)) | ||
| - Remove legacy Matlab toolbox ([E#196](https://github.com/Cantera/enhancements/issues/196), [#1670](https://github.com/Cantera/cantera/pull/1670), [#1688](https://github.com/Cantera/cantera/pull/1688)) | ||
| - Remove `python_minimal` interface ([E#208](https://github.com/Cantera/enhancements/issues/208), [#1745](https://github.com/Cantera/cantera/pull/1745)) | ||
| - Expanded automated CI testing and other CI maintenance ([#1608](https://github.com/Cantera/cantera/pull/1608), [#1612](https://github.com/Cantera/cantera/pull/1612), [#1630](https://github.com/Cantera/cantera/pull/1630), [#1652](https://github.com/Cantera/cantera/pull/1652), [#1662](https://github.com/Cantera/cantera/pull/1662), [#1671](https://github.com/Cantera/cantera/pull/1671), [#1677](https://github.com/Cantera/cantera/pull/1677), [#1703](https://github.com/Cantera/cantera/pull/1703), [#1738](https://github.com/Cantera/cantera/pull/1738), [#1752](https://github.com/Cantera/cantera/pull/1752)) | ||
| - Various documentation updates ([#1618](https://github.com/Cantera/cantera/pull/1618), [#1659](https://github.com/Cantera/cantera/pull/1659), [#1702](https://github.com/Cantera/cantera/pull/1702), [#1795](https://github.com/Cantera/cantera/pull/1795), [#1803](https://github.com/Cantera/cantera/pull/1803)) | ||
| - Various build system updates ([#1723](https://github.com/Cantera/cantera/pull/1723), [#1746](https://github.com/Cantera/cantera/pull/1746), [#1750](https://github.com/Cantera/cantera/pull/1750), [#1755](https://github.com/Cantera/cantera/pull/1755), [#1768](https://github.com/Cantera/cantera/pull/1768), [#1782](https://github.com/Cantera/cantera/pull/1782), [#1791](https://github.com/Cantera/cantera/pull/1791), [E#209](https://github.com/Cantera/enhancements/issues/209)) | ||
| - Fix some compiler warnings ([#1729](https://github.com/Cantera/cantera/pull/1729)) | ||
| - Maintenance of the sdist / PyPI packages ([#1625](https://github.com/Cantera/cantera/pull/1625), [#1708](https://github.com/Cantera/cantera/pull/1708), [#1796](https://github.com/Cantera/cantera/pull/1796)) | ||
| - Address some website accessibility issues ([E#41](https://github.com/Cantera/enhancements/issues/41), [#1753](https://github.com/Cantera/cantera/pull/1753)) | ||
| - Complete transition of the Python test suite to use `pytest` instead of the `unittest` module ([#1793](https://github.com/Cantera/cantera/pull/1793)) | ||
| - Update generated `CMakeLists.txt` files ([#1742](https://github.com/Cantera/cantera/issues/1742), [#1744](https://github.com/Cantera/cantera/pull/1744)) | ||
|
|
||
| ## Bugs fixed | ||
| - Fix missing porosity in `PorousMediaBurner.py` ([#1617](https://github.com/Cantera/cantera/pull/1617)) | ||
| - Fix various issues in the experimental Matlab toolbox and add missing functions ([#1586](https://github.com/Cantera/cantera/pull/1586), [#1701](https://github.com/Cantera/cantera/pull/1701), [#1761](https://github.com/Cantera/cantera/pull/1761)) | ||
| - Fix converting surface mechanisms that use a separate thermo data file ([#1637](https://github.com/Cantera/cantera/pull/1637)) | ||
| - Use midpoint properties for diffusion fluxes in 1D solver ([E#187](https://github.com/Cantera/enhancements/issues/187), [#1626](https://github.com/Cantera/cantera/pull/1626)) | ||
| - Fix access to `Solution` report when using `with_units` ([#1650](https://github.com/Cantera/cantera/pull/1650)) | ||
| - Prevent segfaults from accessing partially-constructed reactor objects ([#1661](https://github.com/Cantera/cantera/pull/1661)) | ||
| - Fix setting diffusion flame initial guess from known data ([#1674](https://github.com/Cantera/cantera/issues/1674), [#1705](https://github.com/Cantera/cantera/pull/1705)) | ||
| - Fix issues with slicing `SolutionArray` ([#1725](https://github.com/Cantera/cantera/pull/1725), [#1726](https://github.com/Cantera/cantera/pull/1726)) | ||
| - Fix `yaml2ck` handling of multiline `note` fields and phases with no reactions ([#1733](https://github.com/Cantera/cantera/pull/1733)) | ||
| - Fix a memory leak when reinitializing a reactor using the GMRES sparse solver ([#1732](https://github.com/Cantera/cantera/pull/1732)) | ||
| - Fix YAML serialization of changes to reaction/species flags with default values that are normally omitted ([#1629](https://github.com/Cantera/cantera/issues/1629), [#1740](https://github.com/Cantera/cantera/pull/1740)) | ||
| - Fix serialization of `note` fields that can be erroneously interpreted as integers ([#1610](https://github.com/Cantera/cantera/issues/1610), [#1740](https://github.com/Cantera/cantera/pull/1740)) | ||
| - Fix YAML serialization of multiline strings ([#1695](https://github.com/Cantera/cantera/issues/1695), [#1740](https://github.com/Cantera/cantera/pull/1740)) | ||
| - Fix garbage collection-related segfault with `CustomRate` ([#1763](https://github.com/Cantera/cantera/pull/1763)) | ||
| - Fix compatibility with SUNDIALS 6.0 and 6.1 ([#1774](https://github.com/Cantera/cantera/pull/1774)) | ||
| - Fix overwriting and ordering of components when outputting `SolutionArray` to YAML ([#1775](https://github.com/Cantera/cantera/pull/1775), [#1781](https://github.com/Cantera/cantera/pull/1781)) | ||
|
|
||
| ## Contributors |