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225 principal axes #246

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225 principal axes #246

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@skfegan skfegan commented Jan 14, 2026

Summary

Switching to using principal axes for translation and rotation at all levels.

Changes

  • Removing get_axes function
  • Adding trans_axes and rot_axes from principal axes (using MDAnalysis function)
  • Weighting torques by eigenvalues of the moment of inertia tensor

Impact

  • Simplifies axes selection
  • Weighting torques consistent with axes choice

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@jimboid jimboid Awaiting requested review from jimboid

@harryswift01 harryswift01 Awaiting requested review from harryswift01

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@skfegan