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A
examples\mcscf\19-frozen_orbital.py
 1 -
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examples\mcscf\43-dmet_cas.py
 1 -
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pyscf\cc\rccsd.py
29 8 -
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pyscf\mcscf\test\test_mc1step.py
21 8 -
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pyscf\ao2mo\incore.py
23 7 -
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examples\dft\24-custom_xc_functional.py
 5 -
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pyscf\mcscf\test\test_newton_casscf.py
6 4 -
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pyscf\cc\rccsd_lambda.py
4 5 -
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examples\fci\01-given_h1e_h2e.py
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examples\mcscf\44-mcscf_active_space_hamiltonian.py
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pyscf\cc\rccsd_slow.py
131 10 -
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pyscf\cc\rintermediates.py
33 5 -
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examples\mcscf\50-casscf_then_dmrgscf.py
 1 -
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pyscf\cc\test\test_2e.py
3 1 -
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pyscf\cc\test\test_addons.py
4 1 -
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examples\agf2\07-scs_agf2.py
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examples\fci\02-selected_ci.py
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examples\mcscf\50-casscf_with_selected_ci.py
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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 -