Fix #5100: Auto-switch to non-linear MSD for custom frames#5244
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Shreya2005-2005 wants to merge 1 commit intoMDAnalysis:developfrom
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Fix #5100: Auto-switch to non-linear MSD for custom frames#5244Shreya2005-2005 wants to merge 1 commit intoMDAnalysis:developfrom
Shreya2005-2005 wants to merge 1 commit intoMDAnalysis:developfrom
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This PR addresses issue #5100 by updating the _conclude method in EinsteinMSD. It now automatically selects the _conclude_non_linear path if a user provides a custom list of frames, ensuring mathematical accuracy for unevenly spaced samples.
Fixes: #5100
📚 Documentation preview 📚: https://mdanalysis--5244.org.readthedocs.build/en/5244/