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Use thread-local calculator for live energy calculations - #7

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lanl:mainfrom
yrasool:fix-thread-local-mace-calculator
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Use thread-local calculator for live energy calculations#7
yrasool wants to merge 1 commit into
lanl:mainfrom
yrasool:fix-thread-local-mace-calculator

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@yrasool

@yrasool yrasool commented Jun 23, 2026

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  • Use the calculator returned by _get_calculator() for live energy calculations.
  • Preserve thread-local calculator isolation during parallel rollouts.
  • Add a regression test with separate sentinel calculators.

Testing

  • py -3.10 -m pytest -q

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