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pyscf
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A
pyscf\pbc\cc\eom_kccsd_rhf_ip.py
12 1 -
A
examples\mcscf\32-beh2_scan\BeH2-scan.py
2 1 -
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examples\agf2\07-scs_agf2.py
 1 -
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examples\fci\02-selected_ci.py
 1 -
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examples\mcscf\50-casscf_with_selected_ci.py
 1 -
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pyscf\cc\test\test_bz.py
2 1 -
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pyscf\cc\test\test_ccsd_lambda.py
3 2 -
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examples\mcscf\50-cornell_shci_casscf.py
 1 -
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pyscf\cc\test\test_ccsd_t.py
11 3 -
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examples\mcscf\34-init_guess_localization.py
 1 -
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pyscf\cc\test\test_dfccsd.py
16 6 -
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examples\fci\10-spin.py
 2 -
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examples\mcscf\50-dmrgscf_with_block.py
 1 -
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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
 1 -
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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
 4 -
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examples\0-readme.py
 3 -