ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
Misleading species names in thermo libraries
Open
@Nora-Khalil is already working on this.
Since Aug 17, 2023.
- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
We (@rwest) noticed this in https://github.com/ReactionMechanismGenerator/RMG-database/blob/main/input/thermo/libraries/CHOF_G4.py
the species HF has the name "F", which is confusing when it ends up in your chemkin/cantera/log file.
It's because the library was auto-generated and the name was created from the SMILES string.
Not sure of a good systematic fix for all instances of this problem. Any ideas?
Contributor guide
No contributing guide indexed for this repository
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Assessment
This issue has not been assessed yet.