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[pre-commit.ci] pre-commit autoupdate#840
last run
9 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)
9 hours ago
61b4966
pre-commit-ci-update-config
CodSpeed Performance Gauge
0%
docs: fix compatibility with jupyterlite-xeus v4#838
last run
7 days ago
docs: fix compatibility with jupyterlite-xeus v4
7 days ago
86cdb3e
njzjz:fix-jupyterlite-v4
CodSpeed Performance Gauge
0%
pin rdkit to <2025.3.3
7 days ago
a82cb50
njzjz:fix-parmed-import
CodSpeed Performance Gauge
+1%
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
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0%
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