merge master to devel (v0.2.25)#863
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njzjz merged 1 commit intodeepmodeling:develfrom Aug 7, 2025
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<!-- 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 -->
CodSpeed WallTime Performance ReportMerging #863 will not alter performanceComparing Summary
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