Richard West

I nominated @hwpang as a reviewer, because it looks like she recently worked on this tool.

> I could attempt... If you have bandwidth to try this, pull requests are welcome! Else we'll probably get around to it eventually, now that this issue is open. I...

As we set about implementing Blowers Masel rate expressions in Cantera (https://github.com/Cantera/cantera/pull/987 ) we have come across this issue again. Should the Blowers Masel expression be evaluated using ∆Hr298 or...

Another problem with making Ea a function of ∆Hrxn(T) is that you cannot recover an Arrhenius expression. Ea is not just a function of the reaction. I think the ∆H...

@sevyharris and I just spent a while getting very confused as to why our Blowers-Masel fit was *not* fitting the training reaction when evaluated with H(T) but only with H(1000K)....

I think we've imported that one. https://figshare.com/articles/dataset/Combustion_Mechanism_Importer_and_Kinetic_Models/4787893?file=24801779 Check the `RMG-models/AramcoMech_2.0/RMG-Py-kinetics-library` and `RMG-Py-thermo-library` folders. West, Richard (2017): Combustion Mechanism Importer and Kinetic Models. figshare. Dataset. https://doi.org/10.6084/m9.figshare.4787893.v2

There's not enough of an error message there for me to debug. Not sure where the rest of it might be hiding itself. Anyway, here's the AramcoMech 2 model in...

Sorry - probably at least `OHV` and `CHV` are the problems. The current version of RMG can't distinguish between these excited state species (that have the same multiplicity). There's a...

So it now saves the files if you set ``` options( generateLabeledReactions=True, ) ``` and doesn't crash if you don't. The unit tests don't pass yet, but this will at...

I added @yunsiechung as a reviewer, because some of the ideas in here may help her with her reaction atom-mapping question (for predicting ∆∆Gsolv of transition states). This PR probably...