Open pjsingal opened 2 weeks ago
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Changes proposed in this pull request
LmrRate.cpp and LmrRate.h allow for vastly improved consideration of the X-dépendent aspect of the rate constants for complex-forming ("pressure-dependent) reactions, using the new LMR-R mixture theory developed by the Burke Lab at Columbia University
Unlike the version stored at pjsingal/cantera:burkelab_PCI2024_oldCode, which builds, runs, and produces highly verifiable (and peer-reviewed) results, this "new" version of the code builds but does not yet run
This "new" version has been almost completely redeveloped, with an aim to improve computational speed and outsource as many basic functionalities to other parts of Cantera wherever possible
This submitted version is very much a work-in-progress. I am requesting feedback on the code structure, assistance in finding bugs, and advice for how to further improve its syntax
Checklist
[x] The pull request includes a clear description of this code change [x] Commit messages have short titles and reference relevant issues [x] Build passes (scons build & scons test) and unit tests address code coverage [] Style & formatting of contributed code follows contributing guidelines [x] The pull request is ready for review