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ReactionMechanismGenerator / ARC

ARC - Automatic Rate Calculator
https://reactionmechanismgenerator.github.io/ARC/index.html
MIT License
43 stars 21 forks source link

We should implement the HEAT protocol in ARC #706

Closed alongd closed 10 months ago

alongd commented 12 months ago

See here: https://github.com/jhthorpe/superHEAT/tree/main

And the relevant publications:

https://doi.org/10.1063/1.1811608

https://doi.org/10.1063/1.2206789

https://doi.org/10.1063/1.2835612

kfir4444 commented 12 months ago

Thanks @alongd! Is this different from #697?