ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
import/export: kinetics library default units
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
Setting the default units as cm3 instead of m3 when exporting RMG-Java style kinetics libraries would make comparison easier with the published chemkin files from which these reaction libraries came.
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.
Research direction
No file or test is named. Locate the import/export path for RMG-Java style kinetics libraries, then compare its current default units with the published Chemkin files referenced in the issue. Done means exports use cm3 rather than m3 by default and the relevant comparison or regression test passes.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- databases
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100