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Add XYZFileReduction for writing trajectory positions to (ext)XYZ files - #473

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Add XYZFileReduction for writing trajectory positions to (ext)XYZ files#473
Alexsp32 with Copilot wants to merge 2 commits into
mainfrom
copilot/add-output-for-xyz-files

Add XYZFileReduction for trajectory output to (ext)XYZ files

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Codecov / codecov/project succeeded Apr 15, 2026 in 1s

27.79% (+15.67%) compared to fe0bf34

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27.79% (+15.67%) compared to fe0bf34

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