Colin Grambow

Update atom enthalpies

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Corresponds to ReactionMechanismGenerator/RMG-database#416. Fixes unit tests that are affected by the updated enthalpies.

New BACs and new data for reference species

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Adds new data to reference species from several levels of theory. Adds fitted BACs. Replaces #417. New data and BACs are based on the updated enthalpies in #416 and the...

I'm going to get this PR going. I used updated data from ATcT. Some things I noticed: - The previous data for Br was horribly wrong. New data should be...

Add energies for DLPNO methods, B3LYP-D3BJ/def2-TZVP, wB97X-D/def2-TZVP, and wB97M-V/def2-TZVP. Fitted with Arkane. Br not available for DLPNO-F12 methods.

Some entries in CHO thermo library are severely wrong

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I have encountered several entries in the CHO thermo library, which have incorrect heats of formation. Unfortunately, I didn't think of cataloging all the incorrect species as I encountered them...