Releases: DeloneCommons/atomref
Releases · DeloneCommons/atomref
v0.1.4 - First public release
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, andXHPolicy. - 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.