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examples\scf\43-custom_get_jk.py
2 1 -
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examples\scf\52-dynamically_control_level_shift.py
2 1 -
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examples\scf\55-overload_convergence_criteria.py
2 1 -
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pyscf\grad\test\test_roks.py
2 1 -
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pyscf\grad\test\test_rohf.py
2 1 -
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pyscf\pbc\gw\test\test_kugw.py
2 1 -
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examples\tddft\21-matrix_A_B.py
2 1 -
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examples\local_orb\07-pipek_mezey.py
2 1 -
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pyscf\pbc\geomopt\__init__.py
2 1 -
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pyscf\adc\test\test_radc\test_H2CO_radc_outcore_small_mem.py
2 2 -
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pyscf\pbc\grad\test\test_krhf.py
2 2 -
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pyscf\hessian\test\test_uhf.py
2 2 -
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pyscf\eph\test\test_rks.py
2 2 -
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pyscf\pbc\grad\test\test_kuhf.py
2 2 -
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pyscf\eph\test\test_uhf.py
2 2 -
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examples\df\42-overwrite_get_jk.py
2 1 -
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pyscf\grad\ucisd.py
2 5 -
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pyscf\gw\test\test_ugw.py
2 1 -
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pyscf\eph\test\test_uks.py
2 2 -
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pyscf\eph\test\test_rhf.py
2 1 -