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Github Fishjojo Pyscf Tutorial

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fishjojo (Xing Zhang) · GitHub

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GitHub - pyscf/pyscf: Python module for quantum chemistry

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

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

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Character table of C2v group seems incorrect · Issue #1430 · pyscf ...

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