merge devel to master (v1.0.0) (#909)

merge devel to master and release 0.2.25 (#857)

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

* **New Features**
* Improved handling and validation of custom data types, including
enhanced equality checks and string representations.
* Added robust enforcement of the right-hand rule for lattice vectors
and coordinates, and introduced cell rotation to lower-triangular form
for LAMMPS output.
* Enhanced VASP OUTCAR and XML parsing to better extract atom names,
types, and handle the NWRITE parameter.
  * Broadened support for loading virial data from ASE Atoms objects.

* **Bug Fixes**
  * Corrected per-atom property indexing when writing ABACUS STRU files.

* **Chores**
* Updated dependencies and workflow configurations for improved
compatibility and reproducibility.
* Added comprehensive test cases for new features, edge cases, and
custom data type handling.
  * Included new VASP test data files for improved test coverage.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

merge devel to master to release v0.2.24 (#808)

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **Chores**
- Updated developer tooling configurations to use a newer linting hook
version.
- **Refactor**
- Streamlined structure processing so that magnetic data is included
only when defined, resulting in cleaner output.
- Optimized coordinate adjustments with vectorized operations for
improved performance.
- **Tests**
- Cleaned up test data by removing redundant magnetic moment fields from
atomic position entries.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

merge devel to master to release v0.2.23 (#794)


<!-- 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 -->

merge devel to master to release v0.2.22 (#786)


<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

I'll craft concise release notes focusing on the key user-facing changes
across the dpdata library:

## Release Notes

- **Python Version Support**
	- Minimum Python version updated from 3.7 to 3.8
	- Removed support for Python 3.7

- **New Features**
- Added support for spin data handling in multiple formats (LAMMPS,
DeePMD, ABACUS)
	- Enhanced selective dynamics support in VASP POSCAR files
- Improved handling of magnetic moments and forces in various
computational chemistry formats

- **Documentation**
- Updated documentation theme from `sphinx_rtd_theme` to
`sphinx-book-theme`
	- Refined installation and compatibility documentation

- **Bug Fixes**
	- Improved error handling for force and spin data processing
- Fixed data type conversions and registrations across different file
formats

- **Performance**
	- Optimized data type handling and conversions
	- Enhanced caching mechanisms for error calculations

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

v0.2.21 (#729)

v0.2.20 (#713)

v0.2.19 (#668)

merge devel to master for v0.2.18 (#628)

merge devel to master (#562)