ReactionMechanismGenerator / ReactionMechanismGenerator/ARC
Orca 5.0/4.2 supporting problem
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- Dominant language
- Python
- Stars
- 51
- Forks
- 25
- Avg merge
- 4d 5h
- Merged PRs (30d)
- 15
Description
Hi,
I am trying to run ARC with Orca 5.0/4.2, but both failed, also failed when I manually run it with the input file. I am not sure if it is a version problem or syntax error in the ARC. I have attached the input file and log file.
input.in.txt
input.log.txt
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 by reviewing the attached input.in.txt and input.log.txt files, then trace the ARC path that invokes Orca. Reproduce the failure with Orca 5.0 and 4.2 and determine whether the logs show a version incompatibility or an input syntax problem; done means the cause and supported behavior are documented or fixed.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- tooling
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100