TaikiKato

Can I use the SixHy merged RMG ? How to draw the integrated simulator data ?

I've appended Dollet & Giunta SixHy chemistry sets into thermo-library & kinetic-library by importChemkinLibrary.py. [dict_Dollet.txt](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6568975/dict_Dollet.txt) [dict_Giunta.txt](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6568979/dict_Giunta.txt) [chem_ann_Dollet.txt](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6568982/chem_ann_Dollet.txt) [chem_ann_Giunta.txt](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6568983/chem_ann_Giunta.txt) And, I tried to import Dollet & Giunta kinetic-library to kinetic-family by...

I've got reasonable work on kinetics_library_to_training_SixHyDollet.ipynb. The error cause may be from Troe-type format processing. I modified kinetic_library_to_training_tools.py & got reasonable work. [kinetics_library_to_training_tools.txt](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6590555/kinetics_library_to_training_tools.txt) [kinetics_library_to_training_SixHyDollet.txt](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6590556/kinetics_library_to_training_SixHyDollet.txt) [kinetics_library_to_training_SixHyGiunta.txt](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6590557/kinetics_library_to_training_SixHyGiunta.txt) I got 1 additional reaction...

Thank you for your advices. I've watched your movies. But, I found it difficult to understand. I found that there are many files in kinetics families. *********** the files *************...

Thank you for your document links & SiRadd branch making. But, I don't know how to access SiRadd branch. Below commands are correct ? ****************************************** git fetch git checkout -b...

I read these documents. There are groups, rules & template explanation. In SixHy case, groups.py & traning are important ?

I tried git branch download. git fetch & git checkout -b SiRadd origin/SiRadd. This command made SiRadd branch.  However, my own library JP-10 disappeared by this operation. How to...

And I have another question about pressure dependent rate calculation. I think that RMG-Py can generate pressure dependent reaction rate PLOG or Chebyshev. But, Arkane has pressure dependent reaction network...

Thank you for your reply. In this SixHy case, I may be ought to add kinetic patterns to groups.py. From your answer, I thought that RMG-Py gives rough Chebyshev form...

Thank you for your lecture. Arkane sounds more suitable to build Pdep network rate than RMG-Py does. In VTST calculation, which solver is most recommended in Polyrate, MESS or MESMER...