ReactionMechanismGenerator / ReactionMechanismGenerator/T3
Missing termination time in SA if not defined in the RMG reactor
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- Dominant language
- Python
- Stars
- 14
- Forks
- 7
- Avg merge
- 22h 36m
- Merged PRs (30d)
- 22
Description
While it's legal to define an RMG reactor w/o a termination time, running SA (at least via the CanteraConstantTP adapter) does expect to have a run time that is taken from the reactor's termination time.
Suggestion: After an RMG run, read the chemical run time from RMG and assign it to the termination time if the latter is None
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First steps
- Read the whole issue, then the project's contributing guide.
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Research direction
Trace the sensitivity-analysis path using the CanteraConstantTP adapter after an RMG run. Check how the reactor termination time and RMG chemical run time are read, then verify that a missing termination time is populated and that SA can run successfully without one defined in the reactor.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100