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pyscf
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A
examples\mcscf\12-c2_triplet_from_singlet_hf.py
 1 2
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examples\mcscf\13-load_chkfile.py
 2 1
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examples\mcscf\13-restart.py
 1 1
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examples\mcscf\14-project_init_guess.py
 3 2
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examples\mcscf\15-state_average.py
 2 1
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examples\mcscf\15-state_specific.py
 1 1
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examples\mcscf\15-transition_dm.py
 1 -
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examples\mcscf\16-density_fitting.py
 1 2
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examples\mcscf\17-approx_orbital_hessian.py
 1 2
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examples\mcscf\18-o2_spatial_spin_symmetry.py
 1 -
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examples\mcscf\18-spatial_spin_symmetry.py
 1 1
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examples\mcscf\19-frozen_orbital.py
 1 1
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examples\mcscf\20-change_symmetry.py
 2 -
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examples\mcscf\21-active_space_symmetry.py
 2 -
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examples\mcscf\21-nosymhf_then_symcasscf.py
 1 1
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examples\mcscf\22-x2c.py
 1 2
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examples\mcscf\23-local_spin.py
 1 1
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examples\mcscf\24-callback.py
2 2 1
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examples\mcscf\30-hf_scan\hf-scan-triplet.py
2 1 1
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examples\mcscf\30-hf_scan\hf-scan.py
2 1 1