ReactionMechanismGenerator / T3

The Tandem Tool (T3) for automated chemical kinetic model development
https://reactionmechanismgenerator.github.io/T3/
MIT License
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T3 should use Arkane YAML files where possible #136

Open alongd opened 1 year ago

alongd commented 1 year ago

After the 1st iteration, if T3 tries to compute a rate for a new reaction that involves one or more species that were already computed, it spawns all jobs related to that species, which is redundant and might take a lot of time. Instead, it should always keep Arkane YAML file paths for each species it computed (thermo or one that participates in a reaction), and use these instead of spawning jobs for these species.