Richard West

Further thoughts... In the Surface_Adsorption_Abstraction_vdW family...  if we block O=O from being \*2=\*3 (because we want O2 to be [O][O]) then it can't react in that family at all....

RMGVE only worked with the old Java version of RMG that was essentially abandoned in 2016. You can probably still find it on the old sourceforge site if you want...

There seems to be one argument that it's not a big problem, and another argument that there will be way more cases than any human wants to see. Maybe we...

Ok. Only problem with that is I need to figure out how to compile Cantera from source. But that was due to happen one of these days anyway...

Thanks for openining this issue, Ting-Chen. Although you say we have thermo for both structures, when I search the one where the two oxygens are on the surface (as you...

Replace the N with CH and we have the same species we were discussing elsewhere: ``` O-CH-O | | X X ``` where there's some kind of resonance. Short term,...

So is the idea: - A new atom type "monovalent" meaning can form 1 bond, i.e. include H and Val7 - A new atom type that is "R not monovalent"...

Feedback from the RMG subgroup zoom just now (if I got this right, @alongd?): try to keep the changes backwards compatible, i.e. at first have "H" and "val7" be children...

I agree it's silly to leave the known problem rate in the next release when this patch is simple. I also agree that we should fix this properly, but perhaps...

Oooh - a 13 GB heap dump file - that's going to be interesting to analyze! We may need to use the new server. Hang on to it for now....