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pyscf
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A
pyscf\pbc\cc\test\test_krccsd.py
66 3 -
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examples\agf2\05-agf2_moments.py
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pyscf\pbc\cc\test\test_kuccsd.py
8 2 -
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pyscf\cc\gccsd_t.py
6 4 -
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pyscf\pbc\cc\test\test_kuccsd_supercell_vs_kpts.py
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examples\mcscf\41-state_average_custom_fci.py
10 1 -
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pyscf\cc\gccsd_t_rdm.py
6 5 -
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pyscf\cc\test\test_dfccsd.py
16 6 -
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pyscf\pbc\ci\test\test_ci.py
3 3 -
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examples\eph\01-finite_difference_eph.py
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examples\fci\10-spin.py
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examples\mcscf\50-dmrgscf_with_block.py
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pyscf\cc\test\test_eom_gccsd.py
16 3 -
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pyscf\cc\test\test_eom_rccsd.py
53 3 -
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examples\mcscf\51-o2_triplet_by_various_fci.py
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pyscf\cc\test\test_eom_uccsd.py
17 5 -
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pyscf\cc\test\test_gccsd.py
13 5 -
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.github\workflows\run_tests.sh
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examples\0-readme.py
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examples\agf2\08-frozen_core.py
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