ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
New GA values for PAHs?
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
This paper says it has made new RMG-compatible benson group values for PAHs. We should get them added. Ask the authors to open a pull request?
https://doi.org/10.1016/j.combustflame.2022.112484
See also #586
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
Start by reading the linked Combustion and Flame paper and the discussion in issue #586 to identify the proposed RMG-compatible Benson group values for PAHs. Determine whether the authors should be asked to contribute them through a pull request; done means the values and contribution path are confirmed.
Written by the indexing model from the issue text.
Assessment
- Domain
- databases
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 30/100