Mark Goldman

RMG's symmetry algorithm includes both internal (from sigma bond rotation) and external symmetry (from rotation the whole molecule). Since the C-C bond in ethane can rotate a methyl group, it...

I am not sure that the rates are all the rates in the training reaction depositories are overall rates (as opposed to per reaction site). I did check a few...

I'll go through each change I made here, and give justification: The current branch has a degeneracy of 3 listed here. C2H + CH3O C2H2 + CH2O The person probably...

To summarize, I am reasonably confident that all the reactions that had degeneracy changed were input on a per molecule basis. I can't say anything about all training reactions

@alongd, Nice observation! I completely agree with you that the degeneracy of this reaction which makes most sense is 1. To keep RMG accurate, the degeneracy value listed in the...

I just updated to current master and reran `fixTrainingReactionDegenerarcies`, and all the values in the database have the same degeneracy as listed by RMG.

@alond, once this PR gets merged in, I can create a RMG-Py PR to add the database test.

I have rebased this branch and found additional corrections in degeneracy (from training reaction additions since this PR was made). I will implement these fixes and then this PR should...

Just fixed all the degeneracy errors since this pull request was first introduced.