ReactionMechanismGenerator / ReactionMechanismGenerator/T3
Allow setting the number of CPUs for an RMG run from the input file
Open
Nobody has claimed this yet.
Type: Feature
- Dominant language
- Python
- Stars
- 14
- Forks
- 7
- Avg merge
- 22h 36m
- Merged PRs (30d)
- 22
Description
We should allow users to specify the number of CPUs for an RMG run directly from the input file like we do for execution_type and memory
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
Start with examples/commented/input.yml around line 68, where execution_type and memory are documented, then trace how those input values are parsed for an RMG run. Done means users can specify the CPU count in the input file and the run uses that value consistently.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 42/100