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pyscf
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A
examples\mcscf\14-project_init_guess.py
 3 2
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pyscf\agf2\dfuagf2.py
23 3 -
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examples\dft\02-gks.py
 2 -
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pyscf\agf2\ragf2.py
138 4 1
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examples\mcscf\15-state_specific.py
 1 1
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pyscf\agf2\test\test_c_agf2.py
6 1 -
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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pyscf\agf2\test\test_dfuagf2_beh.py
7 1 -
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examples\mcscf\16-density_fitting.py
 1 2
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pyscf\agf2\test\test_ragf2_slow_h2o.py
7 1 -
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examples\dft\12-camb3lyp.py
 2 -
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pyscf\agf2\uagf2_slow.py
13 4 -
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pyscf\agf2\uagf2.py
111 4 1
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examples\mcscf\18-o2_spatial_spin_symmetry.py
 1 -
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.github\workflows\ci_macos\deps_apt.sh
 2 -
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conda\build.sh
 3 -
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 1
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examples\ao2mo\01-outcore.py
 1 2
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examples\fci\33-rotate_wfn.py
 2 1
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examples\pbc\05-input_pp.py
 1 1