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release: prepare atomref-proatoms 2.0.0#1

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IvanChernyshov merged 45 commits into
mainfrom
dev
Jul 10, 2026
Merged

release: prepare atomref-proatoms 2.0.0#1
IvanChernyshov merged 45 commits into
mainfrom
dev

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Summary

This PR merges the reviewed v2.0.0 release candidate from dev into main.

  • Publishes versioned spherical atomic and ionic density profiles, cutoff radii, QA tables, and Multiwfn .rad/.wfn artifacts.
  • Adds the public Python API and atomref-proatoms generate CLI for reproducible local generation workflows.
  • Completes the scientific documentation, examples, validation, packaging, and release tooling.

@IvanChernyshov
IvanChernyshov merged commit 2a8a200 into main Jul 10, 2026
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@IvanChernyshov
IvanChernyshov deleted the dev branch July 10, 2026 06:33
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