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pyscf
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A
examples\tddft\02-tddft_for_camb3lyp.py
 1 -
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examples\mcscf\41-mcscf_custom_df_hamiltonian.py
 3 -
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pyscf\cc\gccsd.py
88 17 -
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examples\tddft\22-density.py
1 3 -
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pyscf\cc\gccsd_lambda.py
4 4 -
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examples\agf2\05-agf2_moments.py
 1 -
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examples\eph\00-simple_eph.py
 1 -
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examples\mcscf\41-state_average.py
 2 -
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pyscf\cc\gccsd_rdm.py
16 10 -
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pyscf\lib\gto\fastexp.c
1 2 -
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examples\tddft\31-energy_transfer_coupling_matrix.py
14 3 -
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examples\local_orb\05-ibo_periodic_diamond_cubegen.py
 5 -
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pyscf\cc\gccsd_t.py
6 4 -
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examples\mcscf\41-state_average_custom_fci.py
10 1 -
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pyscf\cc\gccsd_t_lambda.py
5 5 -
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pyscf\cc\gccsd_t_rdm.py
6 5 -
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examples\eph\01-finite_difference_eph.py
 1 -
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examples\mcscf\42-compare_cas_space.py
 2 -
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pyscf\cc\gccsd_t_slow.py
3 5 -
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examples\mcscf\43-PiOS-C8H10.py
 2 -