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DRG, DRGEP+SA is compatible with Cantera 3.0 #86

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@sandeepjella sandeepjella commented Apr 17, 2024

Edits have been made in several files that update the code to use Cantera 3 changes. Notably, the use of adaptive preconditioner from Cantera 3 speeds up the mechanism reduction.

Pending work:

  • Sensitivity analysis will crash when trying to remove species important and its intelligence should be improved. A fairly simple criteria can be used based on the DRGEP ICs.
  • Automated testing and MWE to be added.
  • Additional examples.
  • Jupyter Notebook version to expose the DICs, PICs, visualize network and allow manual intervention.

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sandeepjella commented Apr 17, 2024

Errata: soln2cti.py is zeroed out and uses the write_yaml function from Cantera. However, the filename is not changed (still called soln2cti.py)

@sandeepjella sandeepjella changed the title DRG, DRGEP+SA compatible with Cantera 3.0 DRG, DRGEP+SA is compatible with Cantera 3.0 Apr 17, 2024
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