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v0.7.0

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@github-actions github-actions released this 06 Sep 20:21
· 139 commits to main since this release
v0.7.0
9fc2631

v0.7.0 (2026-09-06)

This release is published under the MIT License.

Features

  • Add thermo_benchmark workflow and support for DFTB integration (912ed4e)

  • Introduce new thermo_benchmark node enabling combined DFTB and PBE/def2-SVP optimization workflows.

  • Add support for molecular_qm_dftb with hierarchical method step execution.

  • Extend CompareConformersResult and outputs to include final molecule structures.

  • Enhance test coverage to validate thermo_benchmark functionality and related utilities.

  • Bump dependencies: molecular-qm-models to 0.4.0, Simstack to latest ww/new-features.

Detailed Changes: v0.6.4...v0.7.0

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