=========== All_singles =========== Needed Modules ============== .. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png * `Generators_restart `_ * `Perturbation `_ * `Properties `_ * `Selectors_no_sorted `_ * `Utils `_ * `Davidson `_ Documentation ============= .. Do not edit this section It was auto-generated .. by the `update_README.py` script. h_apply_just_1h_1p Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script. h_apply_just_1h_1p_diexc Undocumented h_apply_just_1h_1p_diexcorg Generate all double excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_1h_1p_diexcp Undocumented h_apply_just_1h_1p_monoexc Generate all single excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_1h_1p_singles Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script. h_apply_just_1h_1p_singles_diexc Undocumented h_apply_just_1h_1p_singles_diexcorg Generate all double excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_1h_1p_singles_diexcp Undocumented h_apply_just_1h_1p_singles_monoexc Generate all single excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_1p Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script. h_apply_just_1p_diexc Undocumented h_apply_just_1p_diexcorg Generate all double excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_1p_diexcp Undocumented h_apply_just_1p_monoexc Generate all single excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_2p Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script. h_apply_just_2p_diexc Undocumented h_apply_just_2p_diexcorg Generate all double excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_2p_diexcp Undocumented h_apply_just_2p_monoexc Generate all single excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_mono Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script. h_apply_just_mono_diexc Undocumented h_apply_just_mono_diexcorg Generate all double excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. h_apply_just_mono_diexcp Undocumented h_apply_just_mono_monoexc Generate all single excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. `restart_more_singles `_ Generates and select single excitations on the top of a given restart wave function `routine `_ Undocumented