Alon Grinberg Dana

I can suggest trying to use `mamba`, which should be more efficient in solving envs than `conda`. first, install mamba (see https://anaconda.org/conda-forge/mamba) then do: ``` cd RMG-Py mamba env create...

Hi @Pegah-B, I ran the latest input file you posted, and the job did successfully complete. It didn't generate a large enough model, but that's something else to look at....

I suggest simplifying the input file further. Are you sure you need all those libraries? Try adding just a few libraries that you definitely trust, then see if the generation...

Hi @NUSCondy, to generate a new RMG library you'll need your Chemkin file and a species dictionary text file (see example for the dictionary file [here](https://github.com/ReactionMechanismGenerator/RMG-database/blob/master/input/kinetics/libraries/BurkeH2O2inArHe/dictionary.txt)). Then you can run...

Hi, you could use the importer tool written by @rwest, see [here](https://github.com/ReactionMechanismGenerator/RMG-Py/pull/1753). (tagging this issue as related to https://github.com/ReactionMechanismGenerator/RMG-Py/issues/1029)

Was the Chemkin file indeed generated by RMG-Java, or is this a false identification by RMG? The importer tool assists in semi-automatically deducing the molecular structure for each species in...

Interesting. If you can, upload the Chemkin file for future debug. The tool is not the import script, follow the above link to explore it, its execution isn't as straight...

I couldn't resolve it either w/o major modifications to the requirements. Here's a record of my trials if it's any help. I tried using mamba instead of conda. (usage: before...

Thanks for reporting, I also bumped into this a few times. Can you try running in your rmg_env the following? ```python from cclib.parser.utils import find_package print(find_package("psi4")) ``` You should get...

Perhaps we should rename `psi4.py` as `psi_4.py` in Arkane?