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GitHub - graphcore-research/pyscf-ipu: PySCF on IPU

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

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