v0.23.0

v0.23.0 (2026-10-24)

This release is published under the MIT License.

Features

• Accept compare_conformers_reference in temperature analysis (bd45408)

Temperature analysis can recompute thermochemistry from a compare_conformers_reference parent the same way it does for thermo_benchmark_reference.

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

Refactoring

• Generalize reference job processing for multiple benchmarks (a2b9f28)

Standardized handling of thermo_benchmark_reference and thermo_reference_benchmark2 jobs by introducing _THERMO_REFERENCE_JOBS and _THERMO_REFERENCE_LABEL. Updated logs, queries, and error messages for clarity and extensibility.

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Detailed Changes: v0.22.0...v0.23.0