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CHANGELOG.md

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Change Log

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog and this project adheres to Semantic Versioning.

Unreleased

Added

Changed

  • Changed minimum Python version to 3.10 and minimum Cantera version to 3.0.1

Removed

  • Removed command line arguments for Chemkin files - use ck2yaml prior to running
  • Removed the convert tool and command line option, instead use Cantera's yaml2ck and ck2yaml
  • Removed soln2ck and soln2cti modules - internal calls are replaced with Cantera's Solution.write_yaml member function
  • Removed the compare_models tool as it was not working as intended and serves no purpose with the removal of soln2cti

1.1.0 - 2019-09-06

Added

  • Added checks to ensure any species in inputs are in the starting model
  • Added ability to specify ideal_gas object name for reduction, if model in model file

Changed

  • Moved all reduction inputs to a YAML file, and updated associated docs
  • Autoignition simulations now run to steady state by default, with optional options of end-time or max-steps to override

Fixed

  • Fixed bug in DRGEP overall interaction coefficient calculation with multiple conditions
  • Removed erroneous message from ignition simulations about lack of convergence
  • Fixed potenetial bug when printing CTI files with hyphens in species names
  • Fixed bug that printed efficiency list for pressure-dependent reactions with explicit third body
  • Fixed bug that retained reactions with explicit third bodies that were removed.

1.0.0 - 2019-06-21

Added

  • Added path flux analysis, so methods now include DRG, DRGEP, PFA, and sensitivity analysis
  • Adds test suite for all current methods
  • Adds Travis CI and AppVeyor continuous integration
  • Added testing on Windows systems via Azure Pipelines
  • Added printing support for chemically activated and Chebyshev reactions, and non-Troe falloff
  • Adds Travis-based package deploy to PyPI and Anaconda
  • Adds initial documentation site

Changed

  • Major code restructuring.
  • Now supports Python 3.6+

Fixed

  • Fixed bugs in setup.py script and path imports
  • Fixed model printing of Plog reactions

[0.0.1] - 2017-04-01

Added

  • Added preliminary project files (README, CODE_OF_CONDUCT, etc.) without any actual source code