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Ran 13 Jun 2026 06:40AM UTC

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Committed 13 Jun 2026 06:34AM UTC coverage: 28.942%. Remained the same

Job # 27459214881.4

Build Type

Pull #608

github

Committed by

google-labs-jules[bot]

Commit Message

⚡ Bolt: [performance improvement] Optimize MPCONF196 conformer calculations

- Caches `ase.Atoms` parsing to eliminate duplicate `get_atoms()` read overhead
- Hoists `np.mean` recalculations out of tight nested iterations
- Correctly clears `.calc` to ensure calculator states aren't retained during serialization

Co-authored-by: alinelena <3306823+alinelena@users.noreply.github.com>

Pull Request Pull Request #608: ⚡ Bolt: [performance improvement] Optimize MPCONF196 conformer calculations

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