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pyscf\gto\pp_int.py
2 2 -
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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\gw\test\test_ugw.py
2 1 -
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pyscf\pbc\grad\test\test_kuhf.py
2 2 -
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pyscf\hessian\test\test_uhf.py
2 2 -
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pyscf\pbc\grad\test\test_krhf.py
2 2 -
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pyscf\pbc\geomopt\__init__.py
2 1 -
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pyscf\pbc\dft\test\test_ks_noimport.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\tools\ring.py
2 1 -
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examples\df\42-overwrite_get_jk.py
2 1 -
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pyscf\mcscf\test\test_mcao2mo.py
2 1 -
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examples\mcscf\24-callback.py
2 2 -
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examples\mcscf\30-hf_scan\hf-scan-triplet.py
2 1 -
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pyscf\cc\_ccsd.py
2 2 -
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examples\mcscf\30-hf_scan\hf-scan.py
2 1 -
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examples\mcscf\31-cr2_scan\cr2-scan.py
2 1 -
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examples\mcscf\32-beh2_scan\BeH2-scan.py
2 1 -