NUSCondy

Thank you so much for the explanation! Since I use the previous version, which does not to be run using python. Now I use replace the console with python-jl, it...

Hi @alongd as you guided, I used the import chemkin script. But the problem occurs as below: **NotImplementedError: Can't check isomorphism of lists with 4 species/molecules** Moreover, it's quite time-consuming...

@alongd Thanks for your reply! When I run importChemkinLibrary.py again, following new problems happened: **importChemkinLibrary.py:35: DeprecationWarning: RMG-Java loading is no longer supported and may be removed in version 2.3. species_list,...

Hi @alongd Actually, it's the report by PMG-Py so I am confused with the RMG-Java warning. And the tool you mentioned written by @rwest is importChemkinLibrary.py? or some other script?

Sure @alongd The mechanism is AramcoMech2.0 and the link is as below: https://www.nuigalway.ie/media/researchcentres/combustionchemistrycentre/files/mechanismdownloads/aramcomech2/AramcoMech2.0.mech

@rwest Thanks! I have tried your script. That's exactly I need now but some problem related to cherrypy happened: **http://127.0.0.1:8080 Reading species list... [19/Jan/2021:13:48:40] ENGINE Bus STARTING Reading thermo file......

@alongd That's all the error report in the log file. I copy the importChemkin.py to the original RMG-Py directory and run it. I don't know if there are any other...

@alongd @rwest When I try to use the new imported thermo libraries, it's show that: rmgpy.exceptions.DatabaseError: Adjacency list and multiplicity of OHV matches that of existing molecule OH in thermo...

Hi @rwest , I try to use importChemkin.py to import a DMM mechanism. However, it failed because 'SMILES.txt' file could not be found. As stated in the scripts, I key...

Hi @mliu49 , Any updates on this script? Since I also want to import the library using this script but encounter many errors.