ISISNeutronMuon / ISISNeutronMuon/MDMC
dlpoly: check units
- Dominant language
- Python
- Stars
- 4
- Forks
- 0
- Avg merge
- 2d 4h
- Merged PRs (30d)
- 5
Description
go through the [dlpoly_engine](https://github.com/MDMCproject/MDMCv0.2_pilot/blob/master/MDMC/MD/engine_facades/dlpoly_engine.py) script to check that all the units are correct. this includes:
- the unit `System` is correct: https://github.com/MDMCproject/MDMCv0.2_pilot/blob/735bd97c6622f1b1d8d0fac752bd608587c3f185/MDMC/MD/engine_facades/dlpoly_engine.py#L1127
- methods are correctly decorated with units, e.g.: https://github.com/MDMCproject/MDMCv0.2_pilot/blob/735bd97c6622f1b1d8d0fac752bd608587c3f185/MDMC/MD/engine_facades/dlpoly_engine.py#L145
- units in docstrings are consistent with those being used
- the units correctly propagate to the dlpoly-py control object and output
Contributor guide
No contributing guide indexed for this repository
Research direction
Start with MDMC/MD/engine_facades/dlpoly_engine.py, checking the System unit near line 1127 and the unit-decorated methods near line 145. Review the script's docstrings and trace how units propagate to the dlpoly-py control object and output. Done means the units are correct and consistent across these locations.
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
- 42/100