ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
Going back to H/O kinetics
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- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
We should consider the H/O kinetics summarized by Williams in 2014. At least by year its more updated than the Burke Klippenstein library we currently have (2012). Perhaps we should add it as a library, but the question is which source do we recommend to use, and use ourselves.
Contributor guide
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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 files, tests, or entry points are named. Compare the Williams 2014 H/O kinetics source with the existing Burke Klippenstein library from 2012, determine which source should be recommended and used, and define whether adding it as a library is feasible; the issue is done when that choice and implementation scope are documented.
Written by the indexing model from the issue text.
Assessment
- Domain
- databases
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100