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

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

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pyscf · GitHub

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How to convert a PYSCF .chk file into a GAUSSIAN readable .chk file ...

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Cannot import pyscf.geomopt.geometric_solver.optimize · Issue #834 ...

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Is it possible to create a PySCF-based ASE calculator with only mf as ...

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PySCF is incompatible with NumPy 2.0 · Issue #2260 · pyscf/pyscf · GitHub

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is PYSCF_MAX_MEMORY the memory per core or for the entire system ...

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