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v0.22.0

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@github-actions github-actions released this 21 Oct 18:45
· 8 commits to main since this release
v0.22.0
602aa21

v0.22.0 (2026-10-21)

This release is published under the MIT License.

Features

  • Add picklable xTB worker for molecule energy/gradient calculation and optimization (328f88c)

Introduce xtb_worker module enabling energy and gradient computation with optional geometry optimization using isolated processes. Configurable thread limits ensure compatibility with native libraries.

Detailed Changes: v0.21.0...v0.22.0

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