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pyscf
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A
pyscf\df\hessian\__init__.py
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examples\df\11-get_j_io_free.py
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pyscf\lib\dft\vxc.h
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examples\df\40-precompute_df_integrals.py
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pyscf\grad\roks.py
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examples\adc\05-outcore.py
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pyscf\gto\__init__.py
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examples\df\41-df_integrals_gradients.py
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.codecov.yml
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pyscf\lib\exceptions.py
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pyscf\sgx\__init__.py
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pyscf\qmmm\__init__.py
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pyscf\pbc\cc\test\test_h_3x3x1.py
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pyscf\lib\gto\ft_ao.h
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pyscf\lib\__init__.py
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pyscf\icmpspt\tests\f2.py
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examples\ao2mo\01-outcore.py
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examples\fci\33-rotate_wfn.py
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examples\pbc\05-input_pp.py
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