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Change residue level MOI calculation to all atom - #442

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ioanaapapa wants to merge 6 commits into

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441-all-atom-MOI

Commits on Oct 8, 2026
- updated docstrings
  ioanaapapa
  committed
  d2c0240
- Merge branch 'main' into 441-all-atom-MOI
  ioanaapapa
  committed
  31be1be
- updated unit tests
  ioanaapapa
  committed
  a982e28
- updated to use get_vanilla_axes and updated axes from topology
  ioanaapapa
  committed
  77afb8b
- updated unit tests
  ioanaapapa
  committed
  57ceda9
- updated regression baselines as changes to residue transvib and rovib terms are expect for small molecules (1 residue); changes to residue rovib are expected for polymers
  ioanaapapa
  committed
  cba03c5