ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-Py
Only One Balance Species
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- Dominant language
- Python
- Stars
- 530
- Forks
- 260
- Avg merge
- 3d 1h
- Merged PRs (30d)
- 8
Description
While different balance species can be specified in different reactor blocks RMG seems to only assign one balance species (right now it seems to be the last one specified). Additionally, that balance species needs to be in at least the first initial mole fractions block if not all of them to avoid crashing when RMG searches for the balance species in the initial mole fractions.
Contributor guide
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 tracing reactor-block handling and the initial mole-fraction lookup for balance species. Verify how multiple reactor blocks retain their specified balance species and how missing entries are handled; done means different balance species work per block without a crash.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 38/100