v0.6.3

v0.6.3 (2026-09-05)

This release is published under the MIT License.

Bug Fixes

• Loosen engine-specific optimization iteration timeouts. (7ee5829)

Psi4 and PySCF used a 1 h per-gradient cap that killed large TZVP jobs.

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

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Detailed Changes: v0.6.2...v0.6.3