| .. | | 04-Nov-2021 | - |
| 30-hf_scan/ | H | 03-May-2022 | - | 133 | 110 |
| 31-cr2_scan/ | H | 03-May-2022 | - | 81 | 67 |
| 32-beh2_scan/ | H | 03-May-2022 | - | 44 | 35 |
| 33-make_init_guess/ | H | 04-Nov-2021 | - | 547 | 305 |
| 61-rcas_vs_ucas/ | H | 03-May-2022 | - | 105 | 83 |
| 00-simple_casci.py | H A D | 04-Nov-2021 | 2.9 KiB | 88 | 12 |
| 00-simple_casscf.py | H A D | 04-Nov-2021 | 633 | 32 | 12 |
| 01-for_expensive_fci.py | H A D | 04-Nov-2021 | 1.1 KiB | 41 | 18 |
| 02-cas_space_spin.py | H A D | 04-Nov-2021 | 1 KiB | 36 | 19 |
| 03-natural_orbital.py | H A D | 04-Nov-2021 | 1.3 KiB | 51 | 27 |
| 04-density_matrix.py | H A D | 04-Nov-2021 | 535 | 35 | 15 |
| 10-define_cas_space.py | H A D | 04-Nov-2021 | 719 | 31 | 17 |
| 11-casscf_with_uhf_uks.py | H A D | 04-Nov-2021 | 809 | 34 | 18 |
| 12-c2_triplet_from_singlet_hf.py | H A D | 04-Nov-2021 | 590 | 28 | 15 |
| 13-load_chkfile.py | H A D | 04-Nov-2021 | 1.1 KiB | 56 | 29 |
| 13-restart.py | H A D | 04-Nov-2021 | 1.3 KiB | 51 | 30 |
| 14-project_init_guess.py | H A D | 04-Nov-2021 | 2.1 KiB | 80 | 50 |
| 15-state_average.py | H A D | 04-Nov-2021 | 1.5 KiB | 65 | 28 |
| 15-state_specific.py | H A D | 04-Nov-2021 | 910 | 47 | 23 |
| 15-transition_dm.py | H A D | 04-Nov-2021 | 1,005 | 42 | 26 |
| 16-density_fitting.py | H A D | 04-Nov-2021 | 1.5 KiB | 55 | 35 |
| 17-approx_orbital_hessian.py | H A D | 04-Nov-2021 | 1.1 KiB | 39 | 28 |
| 18-o2_spatial_spin_symmetry.py | H A D | 04-Nov-2021 | 1.3 KiB | 49 | 27 |
| 18-spatial_spin_symmetry.py | H A D | 04-Nov-2021 | 1.7 KiB | 70 | 44 |
| 19-frozen_orbital.py | H A D | 04-Nov-2021 | 859 | 43 | 17 |
| 20-change_symmetry.py | H A D | 04-Nov-2021 | 1 KiB | 49 | 31 |
| 21-active_space_symmetry.py | H A D | 04-Nov-2021 | 1.9 KiB | 75 | 53 |
| 21-nosymhf_then_symcasscf.py | H A D | 04-Nov-2021 | 676 | 30 | 20 |
| 22-x2c.py | H A D | 04-Nov-2021 | 759 | 40 | 23 |
| 23-local_spin.py | H A D | 04-Nov-2021 | 5.1 KiB | 172 | 145 |
| 24-callback.py | H A D | 04-Nov-2021 | 943 | 40 | 26 |
| 34-init_guess_localization.py | H A D | 04-Nov-2021 | 3 KiB | 83 | 45 |
| 40-customizing_hamiltonian.py | H A D | 04-Nov-2021 | 997 | 46 | 26 |
| 41-mcscf_custom_df_hamiltonian.py | H A D | 04-Nov-2021 | 1.4 KiB | 52 | 22 |
| 41-state_average.py | H A D | 04-Nov-2021 | 1.9 KiB | 78 | 52 |
| 41-state_average_custom_fci.py | H A D | 04-Nov-2021 | 1.9 KiB | 69 | 53 |
| 42-compare_cas_space.py | H A D | 04-Nov-2021 | 1.3 KiB | 38 | 32 |
| 43-PiOS-C8H10.py | H A D | 04-Nov-2021 | 3 KiB | 96 | 72 |
| 43-avas.py | H A D | 04-Nov-2021 | 2.3 KiB | 85 | 60 |
| 43-dmet_cas.py | H A D | 04-Nov-2021 | 3.7 KiB | 125 | 76 |
| 44-mcscf_active_space_hamiltonian.py | H A D | 04-Nov-2021 | 773 | 39 | 19 |
| 50-casscf_then_dmrgscf.py | H A D | 04-Nov-2021 | 1.2 KiB | 56 | 29 |
| 50-casscf_with_selected_ci.py | H A D | 04-Nov-2021 | 449 | 26 | 14 |
| 50-cornell_shci_casscf.py | H A D | 04-Nov-2021 | 995 | 44 | 20 |
| 50-dmrgscf_with_block.py | H A D | 04-Nov-2021 | 956 | 46 | 33 |
| 51-o2_triplet_by_various_fci.py | H A D | 04-Nov-2021 | 1 KiB | 55 | 31 |
| 60-uhf_based_ucasscf.py | H A D | 04-Nov-2021 | 867 | 41 | 26 |
| 70-casscf_optimize_scheduler.py | H A D | 04-Nov-2021 | 1.3 KiB | 53 | 30 |