Xiaorui Dong, Ph.D.
Xiaorui Dong, Ph.D.
1. change the directory to the RMG-Py folder (where RMG is installed). E.g., `cd ~/RMG-Py/` 2. Run `git remote -v` to get the list of the remote repos you have...
If you want to use the anaconda version. Please do `conda install -c rmg RMG=3.0.0`. If you want to use the source code downloaded from the github, Please try `git...
HI @Pegah-B, Thank you for being interested in using RMG-Py. Due to RMG's limitation, it can only work properly for neutral species chemistry and some catalytic reactions. I don't think...
Thank you for letting us know about the issue. Apparently, the error is due to RMG being lack of knowledge of several atom types. Atom No.3 in this case, where...
Same error saw here. https://github.com/ReactionMechanismGenerator/RMG-website/issues/241. But that issue seems to go away after the website was updated for unknown reason. I looked at the hashes of your commits, and both...
Part of the reason is that `reactantNum` and `productNum` are not defined in the `groups.py` of the family Intra_R_Add_Endocyclic. After fixing this, I still got the same error. The problem...
One thing really weird about the newly merged families are *labels are expected to be *1, *2, *3, but a few cases in the species dictionary have label index over...
@sevyharris, the short answer is `add_rules_from_training` and `fill_rules_by_averaging_up` are not designed for ATG rate rules and shouldn't be called on ATG families. However, this is a good catch helping us...
@ChrisBNEU Hi Chris, I remembered you brought up this (or something similar) during the developer hour this week (Apr 4, 2022). Can you update here with what you found and...
@lily90502, this looks similar to what you recently encountered. Can you take a look?