OpenMM `getState` performance -- should energy in frame be optional?
Open
enhancement
- Dominant language
- Jupyter Notebook
- Stars
- 3
- Forks
- 4
- Avg merge
- 8h 48m
- Merged PRs (30d)
- 37
Description
This issue has no description.
Contributor guide
Research direction
The issue names the OpenMM getState entry point but provides no files, tests, or reproduction details. Start by locating getState usage, then establish whether energy is collected for each frame and define the expected optional behavior and performance check before implementation.
Written by the indexing model from the issue text.
Assessment
- Domain
- performance
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 15/100