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Releases: DeloneCommons/atomref

v0.1.4 - First public release

15 Mar 20:31

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First public atomref release: a lightweight, pure-Python package for curated, provenance-aware atomic reference data.

  • Includes element metadata and named datasets for covalent, van der Waals, and atomic-radius values.
  • Provides typed policies with overrides, fallbacks, custom sets, and transfer-based completion.
  • Added provisional X–H bond-length support via xh_bond_length, csd_legacy_xh_cno, and XHPolicy.
  • Transfer models now support datasets, custom sets, and policies as sources.
  • Added safeguards for nested correlations, transfer-depth tracking, and robust cycle detection.
  • Documentation, changelog, and roadmap were cleaned up and synchronized across the repo.