ReactionMechanismGenerator / ReactionMechanismGenerator/T3
Save RMG files before restarting
Open
Nobody has claimed this yet.
Type: Feature
- Dominant language
- Python
- Stars
- 14
- Forks
- 7
- Avg merge
- 22h 36m
- Merged PRs (30d)
- 22
Description
When RMG restarts, RMG deletes important files of the previous run.
T3 should backup these important files before restarting RMG.
This could be an optional feature.
Important files:
- pdep folder
- chem_annotated
- chem_edge_annotated
- RMG log files
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 tracing T3's RMG restart flow and identify where the listed pdep, chem_annotated, chem_edge_annotated, and RMG log files are handled. Define how the optional backup is enabled and verify that these files are preserved before a restart.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- tooling
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100