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 (optionally) to determine RMG move to core tolerances on its own #137

Open alongd opened 1 year ago

alongd commented 1 year ago

Currently users specify a tol list It would be great if we also allow some schemes where like an adaptive grid, T3 tries some high tolerances, and gradually lowers them on its own until the observable predictions converge. We could maybe allow "fast", "slow" and "adaptive" schemes to determine the next tol value.