merge master to devel (v0.2.23) #795
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<!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Chores** - Upgraded the pre-commit configuration to improve code quality. - **New Features** - Introduced robust parsing and generation for simulation structure files, enhancing the reliability of data extraction. - **Refactor** - Streamlined the processing of structural and atomic information, resulting in clearer error messages and more consistent output. - **Tests** - Optimized file management during test setups and teardowns to ensure reliable handling of simulation files. <!-- end of auto-generated comment: release notes by coderabbit.ai -->
CodSpeed Performance ReportMerging #795 will not alter performanceComparing Summary
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