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v0.17.0

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@github-actions github-actions released this 19 Oct 08:14
· 27 commits to main since this release
v0.17.0
8d3cc97

v0.17.0 (2026-10-19)

This release is published under the MIT License.

Bug Fixes

  • Scan every project for completed thermo benchmark jobs (f8a58b7)

Co-authored-by: Cursor cursoragent@cursor.com

Features

  • Run reference thermochemistry for both conformers in parallel (ad1bebe)

Group each basis set and functional into compare_conformers_reference so both optimizations and both thermochemistry calculations run together and the step fails if either molecule fails.

Co-authored-by: Cursor cursoragent@cursor.com

Detailed Changes: v0.16.1...v0.17.0

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