wrappers/python/simtk/openmm/app/internal/unitcell.py · 61d5cc0f8b56867a392a8fbbc6f37e8d2c491256 · tsoc / openmm · GitLab

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Add a reducePeriodicBoxVectors function, since many helpers (like the one in · fd1827e0
Jason Swails authored Feb 19, 2015
```
mdtraj) does *not* fully reduce the vectors.

Also adds a test for this.
```
fd1827e0

unitcell.py 4.18 KB