ISISNeutronMuon / ISISNeutronMuon/MDMC
Change SQw to accommodate ensembles other than NVE/NVT
Open
enhancement
P2
- Dominant language
- Python
- Stars
- 4
- Forks
- 0
- Avg merge
- 2d 4h
- Merged PRs (30d)
- 5
Description
SQw calculations currently assume that the volume is constant during the simulation. Modify this so that changing volume (i.e. in NPT) is accounted for.
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