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GitHub - pyscf/pyscf: Python module for quantum chemistry

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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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some questions about geomopt · Issue #431 · pyscf/pyscf · GitHub

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PySCF annual developer's meeting · Issue #1232 · pyscf/pyscf · GitHub

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

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Can't install on Windows by PIP ! · Issue #750 · pyscf/pyscf · GitHub

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cannot import name 'gto' from 'pyscf' (unknown location) · Issue #1772 ...

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