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Use MDAnalysis `principal_axes()` for single-UA molecules to prevent complex axes - #274

Merged

jkalayan merged 2 commits into

mainfrom

273-bug-complex-number-forces-produced

Feb 12, 2026

Merged

Use MDAnalysis `principal_axes()` for single-UA molecules to prevent complex axes#274
jkalayan merged 2 commits into
mainfrom
273-bug-complex-number-forces-produced

Commits on Feb 12, 2026
- use vanilla PA for molecules that are one UA
  jkalayan
  committed
  28b8d93
- update tests for UA axes
  jkalayan
  committed
  513664f