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Refactor entropy calculations: switch to per-timestep computation with molecule-type grouping#126

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harryswift01 merged 26 commits into
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30-averaging-over-molecules-of-the-same-type
Aug 4, 2025
Merged

Refactor entropy calculations: switch to per-timestep computation with molecule-type grouping#126
harryswift01 merged 26 commits into
mainfrom
30-averaging-over-molecules-of-the-same-type

fixing comments within the testing files

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