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A
examples\scf\54-fractional_occupancy.py
 1 -
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examples\2-benchmark\fci_iteration.py
 2 -
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examples\scf\56-h2_symm_breaking.py
7 1 -
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pyscf\hessian\__init__.py
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examples\gw\00-simple_gw.py
 1 -
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pyscf\hessian\rks.py
71 8 -
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examples\scf\71-patch_scf_kernel.py
5 1 -
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pyscf\hessian\test\test_rks.py
4 1 -
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examples\cc\41-ccsd_custom_hamiltonian_noscf.py
1 1 -
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pyscf\hessian\test\test_uhf.py
2 2 -
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examples\sgx\01-pscreen_large_mol.py
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examples\gw\02-gw_exact.py
 1 -
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pyscf\cc\ccsd_t_slow.py
11 5 -
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examples\mcscf\34-init_guess_localization.py
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pyscf\cc\dfccsd.py
16 8 -
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pyscf\cc\eom_gccsd.py
81 8 -
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examples\dft\33-nlc_functionals.py
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examples\mcscf\40-customizing_hamiltonian.py
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pyscf\cc\eom_rccsd.py
211 12 -
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examples\mcscf\41-mcscf_custom_df_hamiltonian.py
 3 -