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Pull requests
last run
6 hours ago
[pre-commit.ci] pre-commit autoupdate
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.0 → v0.12.1](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.0...v0.12.1)
6 hours ago
61b4966
pre-commit-ci-update-config
0%
last run
7 days ago
docs: fix compatibility with jupyterlite-xeus v4
7 days ago
86cdb3e
njzjz:fix-jupyterlite-v4
0%
last run
7 days ago
pin rdkit to <2025.3.3
7 days ago
a82cb50
njzjz:fix-parmed-import
+1%
last run
7 days ago
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 -->
3 months ago
08aefba
njzjz:master-0.2.24
0%