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New BACs and new data for reference species

Open cgrambow opened this issue 5 years ago • 1 comments

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 fitted atom energies in #418.

cgrambow avatar May 25 '20 19:05 cgrambow

Added commits from #416 and #418. Make sure to remove them before merging.

cgrambow avatar May 28 '20 21:05 cgrambow