Commit c1d6c73
feat: support spin for ABACUS (#718)
<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit
- **New Features**
- Enhanced data retrieval capabilities with the inclusion of magnetic
moment and force data in the output.
- Streamlined method for handling parameters in the ABACUS plugin,
improving usability.
- New function added for registering magnetic data types, enhancing
functionality.
- Comprehensive test suite introduced for validating ABACUS spin
simulation functionalities.
- **Bug Fixes**
- Improved control flow to ensure accurate integration of new magnetic
data.
- **Tests**
- Introduced new test cases to validate the accuracy of ABACUS spin
simulation outputs, enhancing overall test coverage.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->
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Co-authored-by: root <pxlxingliang>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Han Wang <[email protected]>1 parent 482775f commit c1d6c73
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23 files changed
+3647
-46
lines changed- dpdata
- abacus
- plugins
- tests
- abacus.relax
- abacus.scf
- abacus.spin
- OUT.ABACUS
23 files changed
+3647
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