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A
examples\mcscf\03-natural_orbital.py
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pyscf\adc\test\test_uadc\test_N2_uadc_ip.py
5 2 -
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pyscf\adc\test\test_uadc\test_OH_uadc_ea.py
5 2 -
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examples\mcscf\04-density_matrix.py
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pyscf\adc\test\test_uadc\test_OH_uadc_ip.py
5 2 -
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pyscf\adc\test\test_uadc\test_OH_uadc_outcore.py
4 2 -
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examples\adc\05-outcore.py
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examples\df\41-df_integrals_gradients.py
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examples\mcscf\10-define_cas_space.py
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pyscf\adc\test\test_uadc\test_P_uadc_ea.py
4 2 -
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pyscf\adc\test\test_uadc\test_P_uadc_ip.py
4 2 -
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examples\mcscf\11-casscf_with_uhf_uks.py
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pyscf\adc\test\test_uadc\test_dfadc_OH.py
6 2 -
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examples\df\42-overwrite_get_jk.py
2 1 -
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examples\mcscf\12-c2_triplet_from_singlet_hf.py
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pyscf\agf2\__init__.py
20 2 -
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examples\mcscf\13-load_chkfile.py
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pyscf\agf2\_agf2.py
25 2 -
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pyscf\agf2\aux_space.py
67 1 -
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examples\adc\06-dfadc.py
 2 -