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Bump CI actions and lint hooks, plus small correctness fixes - #625
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Summary
checkoutv6,setup-pythonv6,setup-uvv8.2.0,upload-pages-artifactv5,deploy-pagesv5,stalev10,codecov-actionv7 andprek-actionv2;setup-uvis pinned exactly because v8 no longer publishes an@v8tag.target-versionin favour ofrequires-python, and ignore CPY001 and PLR0917.[tool.ty.overrides]for files with PEP 723 script headers and fails onexamples/anddocs/.SimStateraises aValueErrorfor descending, interleaved or gappedsystem_idx; descending indices used to pass silently and the others raised aRuntimeError.calc_kT,calc_kinetic_energyand the cell-filter masses sum per system withindex_add, so they no longer assume atoms are sorted by system.HeatFluxAutoCorrelationruns the model once per update instead of twice.__all__,Self | Nonereturn types, a genericCorrelationCalculator, keywordcutoff=for vesin, and simplertruncateandload_stateschecks.Checklist
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