Commits
Click on a commit to change the comparison rangemerge devel to master to release v0.2.23 (#794)
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## 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.
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