Richard West

Oh, and it currently gives an error when you hit submit :)

Here's the entry in RMG-database: https://github.com/ReactionMechanismGenerator/RMG-database/blob/0de0ae134683ba83d89b06b22879e5f0cb41ef3a/input/kinetics/libraries/NOx2018/reactions.py#L8496 ``` entry( index = 467, label = "HCCO + OH CO2 + CH2", degeneracy = 1, duplicate = True, kinetics = MultiPDepArrhenius( arrhenius =...

Yes, the unnecessary reloading crossed my mind too. I think it checks the timestamps of files?. I recall once having a setup where the networked file server's clock had drifted...

Maybe it's not as easy to do without as I thought. So for now let's just document it in the readme

Adding this here, another problem with surface kinetics search... the second result of [this search](https://rmg.mit.edu/database/kinetics/results/reactant1=1%20O%20u0%20p2%20c0%20%7B2,D%7D%0D%0A2%20X%20u0%20p0%20c0%20%7B1,D%7D__res=True) leads to `UnboundLocalError: local variable 'reverse_kinetics' referenced before assignment`

Any thoughts on parameter optimization? eg. fitting to a set of final reactor effluent values? Perhaps just knowing the first order sensitivities would be enough to wrap this in some...

Does RMG try to propose (via any reaction families) the species that you found, via DFT, to be unstable or non-existent? Rather than just "comment them out" of a thermo...

Just wondering, how/where are these documented? For users to find out what is available and when it can be used? For example, @ssun30 thinks he might be able to use...

Great. Can I suggest we add metadata to the RMG-database, perhaps saying exactly what software settings to use, and maybe extend arkane documentation? (apologies if this is a nonsense request)...

@Nora-Khalil what's the status of all David's old PRs for halocarbons? Please can we figure out which to rebase / merge / abandon ?