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Question Validation And Optimization Of Pyscf Input Issue 1993 Pyscf Pyscf Github

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[Question] Validation and optimization of PySCF Input · Issue #1993 · pyscf/pyscf · GitHub

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Overriding nested functions · Issue #1457 · pyscf/pyscf · GitHub

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open-shell TDDFT using ROKS · Issue #826 · pyscf/pyscf · GitHub

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Re-ordering basis functions introduces mismatch · Issue #1961 · pyscf/pyscf · GitHub

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Implement new ROHF scheme · Issue #1137 · pyscf/pyscf · GitHub

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