# Index for programmers

## Index of Modules

- ao_basis
- ao_one_e_integrals
- ao_two_e_erf_ints
- ao_two_e_ints
- aux_quantities
- becke_numerical_grid
- bitmask module
- cipsi
- cis
- cisd
- davidson
- davidson_dressed
- davidson_undressed
- density_for_dft
- determinants
- dft_keywords
- dft_utils_in_r
- dft_utils_one_e
- dress_zmq
- electrons
- ezfio_files
- fci
- generators_cas
- generators_full
- hartree_fock
- iterations
- kohn_sham
- kohn_sham_rs
- mo_basis
- mo_guess
- mo_one_e_integrals
- mo_two_e_erf_ints
- mo_two_e_ints
- mpi
- nuclei
- perturbation
- pseudo
- psiref_cas
- psiref_utils
- scf_utils
- selectors_cassd
- selectors_full
- selectors_utils
- single_ref_method
- tools
- utils
- zmq
- qp_name
- qp_test
- Coding conventions

## Index of Providers

- `abs_psi_coef_max`
- `abs_psi_coef_min`
- `act_bitmask`
- `alpha_knowles`
- `angular_quadrature_points`
- `ao_cart_to_sphe_coef`
- `ao_cart_to_sphe_inv`
- `ao_cart_to_sphe_num`
- `ao_cart_to_sphe_overlap`
- `ao_cartesian`
- `ao_coef`
- `ao_coef_normalization_factor`
- `ao_coef_normalization_libint_factor`
- `ao_coef_normalized`
- `ao_coef_normalized_ordered`
- `ao_coef_normalized_ordered_transp`
- `ao_coef_normalized_ordered_transp_per_nucl`
- `ao_deriv2_x`
- `ao_deriv2_y`
- `ao_deriv2_z`
- `ao_deriv_1_x`
- `ao_deriv_1_y`
- `ao_deriv_1_z`
- `ao_dipole_x`
- `ao_dipole_y`
- `ao_dipole_z`
- `ao_effective_one_e_potential`
- `ao_effective_one_e_potential_without_kin`
- `ao_expo`
- `ao_expo_ordered`
- `ao_expo_ordered_transp`
- `ao_expo_ordered_transp_per_nucl`
- `ao_integrals_cache`
- `ao_integrals_cache_max`
- `ao_integrals_cache_min`
- `ao_integrals_erf_cache`
- `ao_integrals_erf_cache_max`
- `ao_integrals_erf_cache_min`
- `ao_integrals_erf_map`
- `ao_integrals_map`
- `ao_integrals_n_e`
- `ao_integrals_n_e_per_atom`
- `ao_integrals_threshold`
- `ao_kinetic_integrals`
- `ao_l`
- `ao_l_char`
- `ao_l_char_space`
- `ao_l_max`
- `ao_md5`
- `ao_nucl`
- `ao_num`
- `ao_one_e_integrals`
- `ao_one_e_integrals_diag`
- `ao_ortho_canonical_coef`
- `ao_ortho_canonical_coef_inv`
- `ao_ortho_canonical_nucl_elec_integrals`
- `ao_ortho_canonical_num`
- `ao_ortho_canonical_overlap`
- `ao_ortho_lowdin_coef`
- `ao_ortho_lowdin_nucl_elec_integrals`
- `ao_ortho_lowdin_overlap`
- `ao_overlap`
- `ao_overlap_abs`
- `ao_overlap_x`
- `ao_overlap_y`
- `ao_overlap_z`
- `ao_potential_alpha_xc`
- `ao_potential_beta_xc`
- `ao_power`
- `ao_power_ordered_transp_per_nucl`
- `ao_prim_num`
- `ao_prim_num_max`
- `ao_pseudo_integrals`
- `ao_pseudo_integrals_local`
- `ao_pseudo_integrals_non_local`
- `ao_spread_x`
- `ao_spread_y`
- `ao_spread_z`
- `ao_two_e_integral_alpha`
- `ao_two_e_integral_beta`
- `ao_two_e_integral_erf_schwartz`
- `ao_two_e_integral_schwartz`
- `ao_two_e_integrals_erf_in_map`
- `ao_two_e_integrals_in_map`
- `aos_dsr_vc_alpha_pbe_w`
- `aos_dsr_vc_beta_pbe_w`
- `aos_dsr_vx_alpha_pbe_w`
- `aos_dsr_vx_beta_pbe_w`
- `aos_dvc_alpha_pbe_w`
- `aos_dvc_beta_pbe_w`
- `aos_dvx_alpha_pbe_w`
- `aos_dvx_beta_pbe_w`
- `aos_grad_in_r_array`
- `aos_grad_in_r_array_transp`
- `aos_grad_in_r_array_transp_xyz`
- `aos_in_r_array`
- `aos_in_r_array_transp`
- `aos_lapl_in_r_array`
- `aos_lapl_in_r_array_transp`
- `aos_sr_vc_alpha_lda_w`
- `aos_sr_vc_alpha_pbe_w`
- `aos_sr_vc_beta_lda_w`
- `aos_sr_vc_beta_pbe_w`
- `aos_sr_vx_alpha_lda_w`
- `aos_sr_vx_alpha_pbe_w`
- `aos_sr_vx_beta_lda_w`
- `aos_sr_vx_beta_pbe_w`
- `aos_vc_alpha_lda_w`
- `aos_vc_alpha_pbe_w`
- `aos_vc_beta_lda_w`
- `aos_vc_beta_pbe_w`
- `aos_vx_alpha_lda_w`
- `aos_vx_alpha_pbe_w`
- `aos_vx_beta_lda_w`
- `aos_vx_beta_pbe_w`
- `barycentric_electronic_energy`
- `big_array_coulomb_integrals`
- `big_array_exchange_integrals`
- `binom`
- `binom_int`
- `binom_int_transp`
- `binom_transp`
- `c0_weight`
- `cart_to_sphe_0`
- `cart_to_sphe_1`
- `cart_to_sphe_2`
- `cart_to_sphe_3`
- `cart_to_sphe_4`
- `cart_to_sphe_5`
- `cart_to_sphe_6`
- `cart_to_sphe_7`
- `cart_to_sphe_8`
- `cart_to_sphe_9`
- `cas_bitmask`
- `center_of_mass`
- `ci_eigenvectors`
- `ci_electronic_energy`
- `ci_energy`
- `ci_s2`
- `closed_shell_ref_bitmask`
- `coef_hf_selector`
- `core_bitmask`
- `core_energy`
- `core_energy_erf`
- `core_fock_operator`
- `core_fock_operator_erf`
- `core_inact_act_bitmask_4`
- `core_inact_virt_bitmask`
- `correlation_energy_ratio_max`
- `correlation_functional`
- `damping_for_rs_dft`
- `data_energy_proj`
- `data_energy_var`
- `data_one_e_dm_alpha_mo`
- `data_one_e_dm_beta_mo`
- `davidson_criterion`
- `davidson_sze_max`
- `degree_max_generators`
- `degree_max_integration_lebedev`
- `del_bitmask`
- `delta_e_per_selector`
- `density_for_dft`
- `det_alpha_norm`
- `det_beta_norm`
- `det_to_occ_pattern`
- `dft_type`
- `diag_algorithm`
- `diagonal_h_matrix_on_psi_det`
- `dim_list_act_orb`
- `dim_list_core_orb`
- `dim_list_del_orb`
- `dim_list_inact_orb`
- `dim_list_virt_orb`
- `disk_access_nuclear_repulsion`
- `disk_based_davidson`
- `distributed_davidson`
- `do_ddci`
- `do_direct_integrals`
- `do_only_1h1p`
- `do_pseudo`
- `do_pt2`
- `double_exc_bitmask`
- `double_index_selectors`
- `dr_radial_integral`
- `dressed_column_idx`
- `dressing_column_h`
- `dressing_column_s`
- `dtranspose`
- `e_corr_double_only`
- `e_corr_per_selectors`
- `e_corr_second_order`
- `e_correlation_dft`
- `e_exchange_dft`
- `effective_one_e_potential`
- `effective_one_e_potential_without_kin`
- `eigenvalues_fock_matrix_ao`
- `eigenvectors_fock_matrix_ao`
- `eigenvectors_fock_matrix_mo`
- `elec_alpha_num`
- `elec_beta_num`
- `elec_num`
- `elec_num_tab`
- `element_mass`
- `element_name`
- `energy_c`
- `energy_c_lda`
- `energy_c_pbe`
- `energy_iterations`
- `energy_sr_c_lda`
- `energy_sr_c_pbe`
- `energy_sr_x_lda`
- `energy_sr_x_pbe`
- `energy_x`
- `energy_x_lda`
- `energy_x_pbe`
- `exc_degree_per_selectors`
- `exchange_functional`
- `expected_s2`
- `extra_e_contrib_density`
- `extrapolate_fock_matrix`
- `extrapolated_energy`
- `ezfio_filename`
- `ezfio_work_dir`
- `fact_inv`
- `file_lock`
- `fill_h_apply_buffer_selection`
- `final_grid_points`
- `final_weight_at_r`
- `final_weight_at_r_vector`
- `fock_matrix_alpha_no_xc_ao`
- `fock_matrix_ao`
- `fock_matrix_ao_alpha`
- `fock_matrix_ao_beta`
- `fock_matrix_beta_no_xc_ao`
- `fock_matrix_diag_mo`
- `fock_matrix_energy`
- `fock_matrix_mo`
- `fock_matrix_mo_alpha`
- `fock_matrix_mo_beta`
- `fock_operator_closed_shell_ref_bitmask`
- `fock_wee_closed_shell`
- `fps_spf_matrix_ao`
- `fps_spf_matrix_mo`
- `frozen_orb_scf`
- `full_ijkl_bitmask`
- `full_ijkl_bitmask_4`
- `gauleg_t2`
- `gauleg_w`
- `general_primitive_integral`
- `general_primitive_integral_erf`
- `generators_bitmask`
- `generators_bitmask_restart`
- `gga_sr_type_functionals`
- `gga_type_functionals`
- `give_polynomial_mult_center_one_e_erf`
- `give_polynomial_mult_center_one_e_erf_opt`
- `grad_aos_dsr_vc_alpha_pbe_w`
- `grad_aos_dsr_vc_beta_pbe_w`
- `grad_aos_dsr_vx_alpha_pbe_w`
- `grad_aos_dsr_vx_beta_pbe_w`
- `grad_aos_dvc_alpha_pbe_w`
- `grad_aos_dvc_beta_pbe_w`
- `grad_aos_dvx_alpha_pbe_w`
- `grad_aos_dvx_beta_pbe_w`
- `grid_points_per_atom`
- `grid_points_radial`
- `grid_type_sgn`
- `h0_type`
- `h_apply_buffer_allocated`
- `h_apply_buffer_lock`
- `h_matrix_all_dets`
- `h_matrix_cas`
- `hf_bitmask`
- `hf_energy`
- `hf_exchange`
- `hf_one_electron_energy`
- `hf_two_electron_energy`
- `i2radix_sort`
- `i8radix_sort`
- `i8radix_sort_big`
- `i_bitmask_gen`
- `i_h_hf_per_selectors`
- `i_x1_new`
- `i_x1_pol_mult_a1`
- `i_x1_pol_mult_a2`
- `i_x1_pol_mult_one_e`
- `i_x1_pol_mult_recurs`
- `i_x2_new`
- `i_x2_pol_mult`
- `i_x2_pol_mult_one_e`
- `idx_cas`
- `idx_non_cas`
- `inact_bitmask`
- `inact_virt_bitmask`
- `index_final_points`
- `index_final_points_reverse`
- `index_holes_bitmask`
- `index_particl_bitmask`
- `inertia_tensor`
- `inertia_tensor_eigenvalues`
- `inertia_tensor_eigenvectors`
- `initialize_pt2_e0_denominator`
- `insert_into_mo_integrals_erf_map`
- `insert_into_mo_integrals_map`
- `int_erf_3_index`
- `int_erf_3_index_exc`
- `inv_int`
- `inv_selectors_coef_hf`
- `inv_selectors_coef_hf_squared`
- `io_ao_integrals_e_n`
- `io_ao_integrals_kinetic`
- `io_ao_integrals_overlap`
- `io_ao_integrals_pseudo`
- `io_ao_one_e_integrals`
- `io_ao_two_e_integrals`
- `io_ao_two_e_integrals_erf`
- `io_mo_integrals_e_n`
- `io_mo_integrals_kinetic`
- `io_mo_integrals_pseudo`
- `io_mo_one_e_integrals`
- `io_mo_two_e_integrals`
- `io_mo_two_e_integrals_erf`
- `iradix_sort`
- `iradix_sort_big`
- `is_zmq_slave`
- `ks_energy`
- `l_to_charater`
- `level_shift`
- `list_act`
- `list_act_reverse`
- `list_core`
- `list_core_inact_act`
- `list_core_inact_act_reverse`
- `list_core_reverse`
- `list_del`
- `list_del_reverse`
- `list_inact`
- `list_inact_reverse`
- `list_virt`
- `list_virt_reverse`
- `m_knowles`
- `max_degree_exc`
- `max_dim_diis`
- `max_exc_pert`
- `mo_class`
- `mo_coef`
- `mo_coef_begin_iteration`
- `mo_coef_in_ao_ortho_basis`
- `mo_coef_transp`
- `mo_dipole_x`
- `mo_dipole_y`
- `mo_dipole_z`
- `mo_guess_type`
- `mo_integrals_cache`
- `mo_integrals_cache_max`
- `mo_integrals_cache_max_8`
- `mo_integrals_cache_min`
- `mo_integrals_cache_min_8`
- `mo_integrals_erf_cache`
- `mo_integrals_erf_cache_max`
- `mo_integrals_erf_cache_min`
- `mo_integrals_erf_map`
- `mo_integrals_map`
- `mo_integrals_n_e`
- `mo_integrals_n_e_per_atom`
- `mo_integrals_threshold`
- `mo_kinetic_integrals`
- `mo_label`
- `mo_num`
- `mo_occ`
- `mo_one_e_integrals`
- `mo_overlap`
- `mo_pseudo_integrals`
- `mo_spread_x`
- `mo_spread_y`
- `mo_spread_z`
- `mo_two_e_int_erf_jj`
- `mo_two_e_int_erf_jj_anti`
- `mo_two_e_int_erf_jj_anti_from_ao`
- `mo_two_e_int_erf_jj_exchange`
- `mo_two_e_int_erf_jj_exchange_from_ao`
- `mo_two_e_int_erf_jj_from_ao`
- `mo_two_e_integral_jj_from_ao`
- `mo_two_e_integrals_erf_in_map`
- `mo_two_e_integrals_in_map`
- `mo_two_e_integrals_jj`
- `mo_two_e_integrals_jj_anti`
- `mo_two_e_integrals_jj_anti_from_ao`
- `mo_two_e_integrals_jj_exchange`
- `mo_two_e_integrals_jj_exchange_from_ao`
- `mo_two_e_integrals_vv_anti_from_ao`
- `mo_two_e_integrals_vv_exchange_from_ao`
- `mo_two_e_integrals_vv_from_ao`
- `mos_grad_in_r_array`
- `mos_in_r_array`
- `mos_in_r_array_transp`
- `mos_lapl_in_r_array`
- `mpi_bit_kind`
- `mpi_initialized`
- `mpi_master`
- `mpi_rank`
- `mpi_size`
- `mu_erf`
- `mu_erf_dft`
- `n_act_orb`
- `n_aos_max`
- `n_cas_bitmask`
- `n_core_inact_act_orb`
- `n_core_inact_orb`
- `n_core_orb`
- `n_core_orb_allocate`
- `n_del_orb`
- `n_det`
- `n_det_alpha_unique`
- `n_det_beta_unique`
- `n_det_cas`
- `n_det_generators`
- `n_det_iterations`
- `n_det_max`
- `n_det_max_full`
- `n_det_non_cas`
- `n_det_print_wf`
- `n_det_selectors`
- `n_double_exc_bitmasks`
- `n_double_selectors`
- `n_generators_bitmask`
- `n_generators_bitmask_restart`
- `n_inact_orb`
- `n_inact_orb_allocate`
- `n_int`
- `n_it_scf_max`
- `n_iter`
- `n_occ_pattern`
- `n_points_final_grid`
- `n_points_grid_per_atom`
- `n_points_integration_angular`
- `n_points_integration_angular_lebedev`
- `n_points_radial_grid`
- `n_pt_max_i_x`
- `n_pt_max_integrals`
- `n_single_exc_bitmasks`
- `n_states`
- `n_states_diag`
- `n_virt_orb`
- `n_virt_orb_allocate`
- `no_ivvv_integrals`
- `no_vvv_integrals`
- `no_vvvv_integrals`
- `nproc`
- `nthreads_davidson`
- `nthreads_pt2`
- `nucl_aos`
- `nucl_aos_transposed`
- `nucl_charge`
- `nucl_charge_remove`
- `nucl_coord`
- `nucl_coord_transp`
- `nucl_dist`
- `nucl_dist_2`
- `nucl_dist_inv`
- `nucl_dist_vec_x`
- `nucl_dist_vec_y`
- `nucl_dist_vec_z`
- `nucl_label`
- `nucl_list_shell_aos`
- `nucl_n_aos`
- `nucl_num`
- `nucl_num_shell_aos`
- `nuclear_repulsion`
- `one_body_dm_mo_alpha_one_det`
- `one_body_dm_mo_beta_one_det`
- `one_e_dm_alpha_ao_for_dft`
- `one_e_dm_alpha_at_r`
- `one_e_dm_alpha_in_r`
- `one_e_dm_and_grad_alpha_in_r`
- `one_e_dm_and_grad_beta_in_r`
- `one_e_dm_ao_alpha`
- `one_e_dm_ao_beta`
- `one_e_dm_average_mo_for_dft`
- `one_e_dm_beta_ao_for_dft`
- `one_e_dm_beta_at_r`
- `one_e_dm_beta_in_r`
- `one_e_dm_dagger_mo_spin_index`
- `one_e_dm_mo`
- `one_e_dm_mo_alpha`
- `one_e_dm_mo_alpha_average`
- `one_e_dm_mo_alpha_for_dft`
- `one_e_dm_mo_beta`
- `one_e_dm_mo_beta_average`
- `one_e_dm_mo_beta_for_dft`
- `one_e_dm_mo_diff`
- `one_e_dm_mo_for_dft`
- `one_e_dm_mo_spin_index`
- `one_e_energy`
- `one_e_grad_2_dm_alpha_at_r`
- `one_e_grad_2_dm_beta_at_r`
- `one_e_spin_density_ao`
- `one_e_spin_density_mo`
- `only_expected_s2`
- `output_cpu_time_0`
- `output_wall_time_0`
- `overlap_gaussian_xyz`
- `phi_angular_integration_lebedev`
- `potential_c_alpha_ao`
- `potential_c_alpha_ao_lda`
- `potential_c_alpha_ao_pbe`
- `potential_c_alpha_mo`
- `potential_c_beta_ao`
- `potential_c_beta_ao_lda`
- `potential_c_beta_ao_pbe`
- `potential_c_beta_mo`
- `potential_sr_c_alpha_ao_lda`
- `potential_sr_c_alpha_ao_pbe`
- `potential_sr_c_beta_ao_lda`
- `potential_sr_c_beta_ao_pbe`
- `potential_sr_x_alpha_ao_lda`
- `potential_sr_x_alpha_ao_pbe`
- `potential_sr_x_beta_ao_lda`
- `potential_sr_x_beta_ao_pbe`
- `potential_x_alpha_ao`
- `potential_x_alpha_ao_lda`
- `potential_x_alpha_ao_pbe`
- `potential_x_alpha_mo`
- `potential_x_beta_ao`
- `potential_x_beta_ao_lda`
- `potential_x_beta_ao_pbe`
- `potential_x_beta_mo`
- `pseudo_dz_k`
- `pseudo_dz_k_transp`
- `pseudo_dz_kl`
- `pseudo_dz_kl_transp`
- `pseudo_grid_rmax`
- `pseudo_grid_size`
- `pseudo_klocmax`
- `pseudo_kmax`
- `pseudo_lmax`
- `pseudo_n_k`
- `pseudo_n_k_transp`
- `pseudo_n_kl`
- `pseudo_n_kl_transp`
- `pseudo_v_k`
- `pseudo_v_k_transp`
- `pseudo_v_kl`
- `pseudo_v_kl_transp`
- `psi_average_norm_contrib`
- `psi_average_norm_contrib_sorted`
- `psi_bilinear_matrix`
- `psi_bilinear_matrix_columns`
- `psi_bilinear_matrix_columns_loc`
- `psi_bilinear_matrix_order`
- `psi_bilinear_matrix_order_reverse`
- `psi_bilinear_matrix_order_transp_reverse`
- `psi_bilinear_matrix_rows`
- `psi_bilinear_matrix_transp_columns`
- `psi_bilinear_matrix_transp_order`
- `psi_bilinear_matrix_transp_rows`
- `psi_bilinear_matrix_transp_rows_loc`
- `psi_bilinear_matrix_transp_values`
- `psi_bilinear_matrix_values`
- `psi_cas`
- `psi_cas_coef`
- `psi_cas_coef_sorted_bit`
- `psi_cas_energy`
- `psi_cas_energy_diagonalized`
- `psi_cas_sorted_bit`
- `psi_coef`
- `psi_coef_cas_diagonalized`
- `psi_coef_generators`
- `psi_coef_max`
- `psi_coef_min`
- `psi_coef_sorted`
- `psi_coef_sorted_bit`
- `psi_coef_sorted_gen`
- `psi_det`
- `psi_det_alpha`
- `psi_det_alpha_unique`
- `psi_det_beta`
- `psi_det_beta_unique`
- `psi_det_generators`
- `psi_det_hii`
- `psi_det_size`
- `psi_det_sorted`
- `psi_det_sorted_bit`
- `psi_det_sorted_gen`
- `psi_det_sorted_gen_order`
- `psi_det_sorted_order`
- `psi_dft_energy_h_core`
- `psi_dft_energy_kinetic`
- `psi_dft_energy_nuclear_elec`
- `psi_energy`
- `psi_energy_h_core`
- `psi_energy_two_e`
- `psi_energy_with_nucl_rep`
- `psi_non_cas`
- `psi_non_cas_coef`
- `psi_non_cas_coef_sorted_bit`
- `psi_non_cas_sorted_bit`
- `psi_occ_pattern`
- `psi_occ_pattern_hii`
- `psi_s2`
- `psi_selectors`
- `psi_selectors_coef`
- `psi_selectors_coef_transp`
- `psi_selectors_diag_h_mat`
- `psi_selectors_size`
- `pt2_collector`
- `pt2_cw`
- `pt2_e0_denominator`
- `pt2_f`
- `pt2_iterations`
- `pt2_j`
- `pt2_max`
- `pt2_mindetinfirstteeth`
- `pt2_n_0`
- `pt2_n_tasks`
- `pt2_n_tasks_max`
- `pt2_n_teeth`
- `pt2_r`
- `pt2_relative_error`
- `pt2_stoch_istate`
- `pt2_u`
- `pt2_u_0`
- `pt2_w`
- `pt2_w_t`
- `qp_kill_filename`
- `qp_max_mem`
- `qp_run_address`
- `qp_stop_filename`
- `qp_stop_variable`
- `read_ao_integrals_e_n`
- `read_ao_integrals_kinetic`
- `read_ao_integrals_overlap`
- `read_ao_integrals_pseudo`
- `read_ao_one_e_integrals`
- `read_ao_two_e_integrals`
- `read_ao_two_e_integrals_erf`
- `read_mo_integrals_e_n`
- `read_mo_integrals_kinetic`
- `read_mo_integrals_pseudo`
- `read_mo_one_e_integrals`
- `read_mo_two_e_integrals`
- `read_mo_two_e_integrals_erf`
- `read_nuclear_repulsion`
- `read_wf`
- `rec__quicksort`
- `rec_d_quicksort`
- `rec_i2_quicksort`
- `rec_i8_quicksort`
- `rec_i_quicksort`
- `ref_bitmask`
- `ref_bitmask_e_n_energy`
- `ref_bitmask_energy`
- `ref_bitmask_kinetic_energy`
- `ref_bitmask_one_e_energy`
- `ref_bitmask_two_e_energy`
- `ref_closed_shell_bitmask`
- `reunion_of_bitmask`
- `reunion_of_cas_inact_bitmask`
- `reunion_of_core_inact_act_bitmask`
- `reunion_of_core_inact_bitmask`
- `rs_ks_energy`
- `s2_eig`
- `s2_matrix_all_dets`
- `s2_values`
- `s_half`
- `s_half_inv`
- `s_inv`
- `s_mo_coef`
- `s_z`
- `s_z2_sz`
- `scf_algorithm`
- `scf_density_matrix_ao`
- `scf_density_matrix_ao_alpha`
- `scf_density_matrix_ao_beta`
- `scf_energy`
- `select_max`
- `selection_criterion`
- `selection_criterion_factor`
- `selection_criterion_min`
- `selection_weight`
- `shifting_constant`
- `short_range_hartree`
- `short_range_hartree_operator`
- `single_exc_bitmask`
- `singles_alpha_csc`
- `singles_alpha_csc_idx`
- `singles_alpha_csc_size`
- `singles_beta_csc`
- `singles_beta_csc_idx`
- `singles_beta_csc_size`
- `size_select_max`
- `slater_bragg_radii`
- `slater_bragg_radii_per_atom`
- `slater_bragg_radii_per_atom_ua`
- `slater_bragg_radii_ua`
- `slater_bragg_type_inter_distance`
- `slater_bragg_type_inter_distance_ua`
- `state_average_weight`
- `state_following`
- `target_energy`
- `theta_angular_integration_lebedev`
- `thresh_scf`
- `threshold_davidson`
- `threshold_diis`
- `threshold_diis_nonzero`
- `threshold_generators`
- `threshold_selectors`
- `trace_potential_xc`
- `trace_v_h`
- `trace_v_hxc`
- `trace_v_xc`
- `transpose`
- `two_e_energy`
- `unpaired_alpha_electrons`
- `used_weight`
- `var_pt2_ratio`
- `virt_bitmask`
- `virt_bitmask_4`
- `weight_at_r`
- `weight_occ_pattern`
- `weights_angular_integration_lebedev`
- `weights_angular_points`
- `write_ao_integrals_e_n`
- `write_ao_integrals_kinetic`
- `write_ao_integrals_overlap`
- `write_ao_integrals_pseudo`
- `write_ao_one_e_integrals`
- `write_ao_two_e_integrals`
- `write_ao_two_e_integrals_erf`
- `write_mo_integrals_e_n`
- `write_mo_integrals_kinetic`
- `write_mo_integrals_pseudo`
- `write_mo_one_e_integrals`
- `write_mo_two_e_integrals`
- `write_mo_two_e_integrals_erf`
- `write_nuclear_repulsion`
- `zmq_context`
- `zmq_lock`
- `zmq_port_start`
- `zmq_socket_pair_inproc_address`
- `zmq_socket_pull_inproc_address`
- `zmq_socket_pull_tcp_address`
- `zmq_socket_push_inproc_address`
- `zmq_socket_push_tcp_address`
- `zmq_socket_sub_tcp_address`
- `zmq_state`

## Index of Subroutines/Functions

- `a_coef()`
- `a_operator()`
- `a_operator_two_e()`
- `ac_operator()`
- `ac_operator_two_e()`
- `add_integrals_to_map()`
- `add_integrals_to_map_erf()`
- `add_integrals_to_map_no_exit_34()`
- `add_integrals_to_map_three_indices()`
- `add_poly()`
- `add_poly_multiply()`
- `add_task_to_taskserver()`
- `add_to_selection_buffer()`
- `ao_l4()`
- `ao_ortho_cano_to_ao()`
- `ao_power_index()`
- `ao_to_mo()`
- `ao_two_e_integral()`
- `ao_two_e_integral_erf()`
- `ao_two_e_integral_schwartz_accel()`
- `ao_two_e_integral_schwartz_accel_erf()`
- `ao_two_e_integrals_erf_in_map_collector()`
- `ao_two_e_integrals_erf_in_map_slave()`
- `ao_two_e_integrals_erf_in_map_slave_inproc()`
- `ao_two_e_integrals_erf_in_map_slave_tcp()`
- `ao_two_e_integrals_in_map_collector()`
- `ao_two_e_integrals_in_map_slave()`
- `ao_two_e_integrals_in_map_slave_inproc()`
- `ao_two_e_integrals_in_map_slave_tcp()`
- `ao_value()`
- `apply_excitation()`
- `apply_hole()`
- `apply_holes()`
- `apply_particle()`
- `apply_particles()`
- `apply_rotation()`
- `approx_dble()`
- `b_coef()`
- `berf()`
- `binom_func()`
- `bitstring_to_hexa()`
- `bitstring_to_list()`
- `bitstring_to_list_ab()`
- `bitstring_to_list_in_selection()`
- `bitstring_to_str()`
- `broadcast_chunks_bit_kind()`
- `broadcast_chunks_double()`
- `broadcast_chunks_integer()`
- `broadcast_chunks_integer8()`
- `build_fock_tmp()`
- `cell_function_becke()`
- `check_coherence_functional()`
- `check_mem()`
- `cis()`
- `cisd()`
- `clear_ao_erf_map()`
- `clear_ao_map()`
- `clear_bit_to_integer()`
- `clear_mo_erf_map()`
- `clear_mo_map()`
- `compute_ao_integrals_erf_jl()`
- `compute_ao_integrals_jl()`
- `compute_ao_two_e_integrals()`
- `compute_ao_two_e_integrals_erf()`
- `connect_to_taskserver()`
- `connected_to_ref()`
- `connected_to_ref_by_mono()`
- `copy_h_apply_buffer_to_wf()`
- `copy_psi_bilinear_to_psi()`
- `create_guess()`
- `create_microlist()`
- `create_minilist()`
- `create_minilist_find_previous()`
- `create_selection_buffer()`
- `create_wf_of_psi_bilinear_matrix()`
- `damping_scf()`
- `davidson_collector()`
- `davidson_converged()`
- `davidson_diag_hjj_sjj()`
- `davidson_diag_hs2()`
- `davidson_pull_results()`
- `davidson_push_results()`
- `davidson_run_slave()`
- `davidson_slave_inproc()`
- `davidson_slave_tcp()`
- `davidson_slave_work()`
- `dberfda()`
- `dble_fact()`
- `dble_fact_even()`
- `dble_fact_odd()`
- `dble_logfact()`
- `ddfact2()`
- `debug_det()`
- `debug_spindet()`
- `decode_exc()`
- `decode_exc_spin()`
- `delete_selection_buffer()`
- `density_and_grad_alpha_beta_and_all_aos_and_grad_aos_at_r()`
- `derivative_knowles_function()`
- `det_inf()`
- `det_search_key()`
- `detcmp()`
- `deteq()`
- `diag_h_mat_elem()`
- `diag_h_mat_elem_fock()`
- `diag_h_mat_elem_one_e()`
- `diag_s_mat_elem()`
- `diag_wee_mat_elem()`
- `diagonalize_ci()`
- `diagonalize_h()`
- `disconnect_from_taskserver()`
- `disconnect_from_taskserver_state()`
- `dm_dft_alpha_beta_and_all_aos_at_r()`
- `dm_dft_alpha_beta_at_r()`
- `do_mono_excitation()`
- `dpol()`
- `dpold()`
- `dpoldd()`
- `dset_order()`
- `dset_order_big()`
- `dsort()`
- `dump_ao_integrals()`
- `dump_ao_integrals_erf()`
- `dump_mo_integrals()`
- `ec_lda()`
- `ec_lda_sr()`
- `ec_only_lda_sr()`
- `ec_pbe_only()`
- `ec_pbe_sr()`
- `ecorrlr()`
- `ecpw()`
- `end_parallel_job()`
- `end_zmq_pair_socket()`
- `end_zmq_pull_socket()`
- `end_zmq_push_socket()`
- `end_zmq_sub_socket()`
- `end_zmq_to_qp_run_socket()`
- `erf0()`
- `eri()`
- `eri_erf()`
- `ex_lda()`
- `ex_lda_sr()`
- `ex_pbe_sr()`
- `ex_pbe_sr_only()`
- `example_becke_numerical_grid()`
- `example_bitmask()`
- `example_determinants()`
- `example_determinants_psi_det()`
- `extrapolate_data()`
- `f_function_becke()`
- `f_integral()`
- `fact()`
- `fci()`
- `fcidump()`
- `fill_buffer_double()`
- `fill_h_apply_buffer_no_selection()`
- `filter_connected()`
- `filter_connected_i_h_psi0()`
- `filter_not_connected()`
- `find_rotation()`
- `four_idx_transform()`
- `g0d()`
- `g0dd()`
- `g0f()`
- `gammln()`
- `gammp()`
- `gauleg()`
- `gaussian_product()`
- `gaussian_product_x()`
- `gcf()`
- `generate_all_alpha_beta_det_products()`
- `get_all_spin_doubles()`
- `get_all_spin_doubles_1()`
- `get_all_spin_doubles_2()`
- `get_all_spin_doubles_3()`
- `get_all_spin_doubles_4()`
- `get_all_spin_doubles_n_int()`
- `get_all_spin_singles()`
- `get_all_spin_singles_1()`
- `get_all_spin_singles_2()`
- `get_all_spin_singles_3()`
- `get_all_spin_singles_4()`
- `get_all_spin_singles_and_doubles()`
- `get_all_spin_singles_and_doubles_1()`
- `get_all_spin_singles_and_doubles_2()`
- `get_all_spin_singles_and_doubles_3()`
- `get_all_spin_singles_and_doubles_4()`
- `get_all_spin_singles_and_doubles_n_int()`
- `get_all_spin_singles_n_int()`
- `get_ao_erf_map_size()`
- `get_ao_map_size()`
- `get_ao_two_e_integral()`
- `get_ao_two_e_integral_erf()`
- `get_ao_two_e_integrals()`
- `get_ao_two_e_integrals_erf()`
- `get_ao_two_e_integrals_erf_non_zero()`
- `get_ao_two_e_integrals_non_zero()`
- `get_d0()`
- `get_d1()`
- `get_d2()`
- `get_double_excitation()`
- `get_double_excitation_spin()`
- `get_excitation()`
- `get_excitation_degree()`
- `get_excitation_degree_spin()`
- `get_excitation_degree_vector()`
- `get_excitation_degree_vector_double_alpha_beta()`
- `get_excitation_degree_vector_mono()`
- `get_excitation_degree_vector_mono_or_exchange()`
- `get_excitation_degree_vector_mono_or_exchange_verbose()`
- `get_excitation_spin()`
- `get_index_in_psi_det_alpha_unique()`
- `get_index_in_psi_det_beta_unique()`
- `get_index_in_psi_det_sorted_bit()`
- `get_inverse()`
- `get_mask_phase()`
- `get_mo_erf_map_size()`
- `get_mo_map_size()`
- `get_mo_two_e_integral_erf()`
- `get_mo_two_e_integrals()`
- `get_mo_two_e_integrals_coulomb_ii()`
- `get_mo_two_e_integrals_erf()`
- `get_mo_two_e_integrals_erf_coulomb_ii()`
- `get_mo_two_e_integrals_erf_exch_ii()`
- `get_mo_two_e_integrals_erf_i1j1()`
- `get_mo_two_e_integrals_erf_ij()`
- `get_mo_two_e_integrals_exch_ii()`
- `get_mo_two_e_integrals_i1j1()`
- `get_mo_two_e_integrals_ij()`
- `get_mono_excitation()`
- `get_mono_excitation_from_fock()`
- `get_mono_excitation_spin()`
- `get_occupation_from_dets()`
- `get_phase()`
- `get_phase_bi()`
- `get_phasemask_bit()`
- `get_pseudo_inverse()`
- `get_s2()`
- `get_task_from_taskserver()`
- `get_tasks_from_taskserver()`
- `get_two_e_integral()`
- `get_uj_s2_ui()`
- `getmobiles()`
- `getunitandopen()`
- `give_all_aos_and_grad_and_lapl_at_r()`
- `give_all_aos_and_grad_at_r()`
- `give_all_aos_at_r()`
- `give_all_aos_at_r_old()`
- `give_all_erf_kl_ao()`
- `give_all_mos_and_grad_and_lapl_at_r()`
- `give_all_mos_and_grad_at_r()`
- `give_all_mos_at_r()`
- `give_explicit_poly_and_gaussian()`
- `give_explicit_poly_and_gaussian_double()`
- `give_explicit_poly_and_gaussian_x()`
- `give_polynom_mult_center_x()`
- `give_polynomial_mult_center_one_e()`
- `gpw()`
- `grad_rho_ab_to_grad_rho_oc()`
- `gser()`
- `h_apply_cis()`
- `h_apply_cis_diexc()`
- `h_apply_cis_diexcorg()`
- `h_apply_cis_diexcp()`
- `h_apply_cis_monoexc()`
- `h_apply_cisd()`
- `h_apply_cisd_diexc()`
- `h_apply_cisd_diexcorg()`
- `h_apply_cisd_diexcp()`
- `h_apply_cisd_monoexc()`
- `h_s2_u_0_nstates_openmp()`
- `h_s2_u_0_nstates_openmp_work()`
- `h_s2_u_0_nstates_openmp_work_1()`
- `h_s2_u_0_nstates_openmp_work_2()`
- `h_s2_u_0_nstates_openmp_work_3()`
- `h_s2_u_0_nstates_openmp_work_4()`
- `h_s2_u_0_nstates_openmp_work_n_int()`
- `h_s2_u_0_nstates_zmq()`
- `h_s2_u_0_two_e_nstates_openmp()`
- `h_s2_u_0_two_e_nstates_openmp_work()`
- `h_s2_u_0_two_e_nstates_openmp_work_1()`
- `h_s2_u_0_two_e_nstates_openmp_work_2()`
- `h_s2_u_0_two_e_nstates_openmp_work_3()`
- `h_s2_u_0_two_e_nstates_openmp_work_4()`
- `h_s2_u_0_two_e_nstates_openmp_work_n_int()`
- `hcore_guess()`
- `heap_dsort()`
- `heap_dsort_big()`
- `heap_i2sort()`
- `heap_i2sort_big()`
- `heap_i8sort()`
- `heap_i8sort_big()`
- `heap_isort()`
- `heap_isort_big()`
- `heap_sort()`
- `heap_sort_big()`
- `hermite()`
- `huckel_guess()`
- `i2set_order()`
- `i2set_order_big()`
- `i2sort()`
- `i8set_order()`
- `i8set_order_big()`
- `i8sort()`
- `i_h_j()`
- `i_h_j_double_alpha_beta()`
- `i_h_j_double_spin()`
- `i_h_j_mono_spin()`
- `i_h_j_mono_spin_one_e()`
- `i_h_j_one_e()`
- `i_h_j_s2()`
- `i_h_j_two_e()`
- `i_h_j_verbose()`
- `i_h_psi()`
- `i_h_psi_minilist()`
- `i_s2_psi_minilist()`
- `i_wee_j_mono()`
- `i_x1_pol_mult()`
- `initialize_bitmask_to_restart_ones()`
- `initialize_mo_coef_begin_iteration()`
- `insert_into_ao_integrals_erf_map()`
- `insert_into_ao_integrals_map()`
- `insertion_dsort()`
- `insertion_dsort_big()`
- `insertion_i2sort()`
- `insertion_i2sort_big()`
- `insertion_i8sort()`
- `insertion_i8sort_big()`
- `insertion_isort()`
- `insertion_isort_big()`
- `insertion_sort()`
- `insertion_sort_big()`
- `int_gaus_pol()`
- `integrale_new()`
- `integrale_new_erf()`
- `is_a_1h()`
- `is_a_1h1p()`
- `is_a_1h2p()`
- `is_a_1p()`
- `is_a_2h()`
- `is_a_2h1p()`
- `is_a_2p()`
- `is_a_two_holes_two_particles()`
- `is_connected_to()`
- `is_connected_to_by_mono()`
- `is_i_in_virtual()`
- `is_in_wavefunction()`
- `is_spin_flip_possible()`
- `is_the_hole_in_det()`
- `is_the_particl_in_det()`
- `iset_order()`
- `iset_order_big()`
- `isort()`
- `knowles_function()`
- `ks_scf()`
- `lapack_diag()`
- `lapack_diagd()`
- `list_to_bitstring()`
- `load_ao_integrals()`
- `load_ao_integrals_erf()`
- `load_mo_integrals()`
- `load_mo_integrals_erf()`
- `logfact()`
- `lowercase()`
- `make_s2_eigenfunction()`
- `make_selection_buffer_s2()`
- `map_load_from_disk()`
- `map_save_to_disk()`
- `memory_of_double()`
- `memory_of_int()`
- `merge_selection_buffers()`
- `mix_mo_jk()`
- `mo_as_eigvectors_of_mo_matrix()`
- `mo_as_svd_vectors_of_mo_matrix()`
- `mo_as_svd_vectors_of_mo_matrix_eig()`
- `mo_to_ao()`
- `mo_to_ao_no_overlap()`
- `mo_two_e_integral()`
- `mo_two_e_integral_erf()`
- `mo_two_e_integrals_erf_index()`
- `mo_two_e_integrals_index()`
- `modify_bitmasks_for_hole()`
- `modify_bitmasks_for_hole_in_out()`
- `modify_bitmasks_for_particl()`
- `molden()`
- `mono_excitation_wee()`
- `mpi_print()`
- `multiply_poly()`
- `n_pt_sup()`
- `nai_pol_mult()`
- `nai_pol_mult_erf()`
- `nai_pol_mult_erf_ao()`
- `new_parallel_job()`
- `new_zmq_pair_socket()`
- `new_zmq_pull_socket()`
- `new_zmq_push_socket()`
- `new_zmq_sub_socket()`
- `new_zmq_to_qp_run_socket()`
- `normalize()`
- `number_of_holes()`
- `number_of_holes_verbose()`
- `number_of_particles()`
- `number_of_particles_verbose()`
- `occ_pattern_of_det()`
- `occ_pattern_search_key()`
- `occ_pattern_to_dets()`
- `occ_pattern_to_dets_size()`
- `ortho_canonical()`
- `ortho_lowdin()`
- `ortho_qr()`
- `ortho_qr_unblocked()`
- `orthonormalize_mos()`
- `overlap_bourrin_deriv_x()`
- `overlap_bourrin_dipole()`
- `overlap_bourrin_spread()`
- `overlap_bourrin_x()`
- `overlap_gaussian_x()`
- `overlap_x_abs()`
- `past_d1()`
- `past_d2()`
- `perturb_buffer_by_mono_dummy()`
- `perturb_buffer_by_mono_epstein_nesbet()`
- `perturb_buffer_by_mono_epstein_nesbet_2x2()`
- `perturb_buffer_by_mono_epstein_nesbet_2x2_no_ci_diag()`
- `perturb_buffer_by_mono_moller_plesset()`
- `perturb_buffer_by_mono_qdpt()`
- `perturb_buffer_dummy()`
- `perturb_buffer_epstein_nesbet()`
- `perturb_buffer_epstein_nesbet_2x2()`
- `perturb_buffer_epstein_nesbet_2x2_no_ci_diag()`
- `perturb_buffer_moller_plesset()`
- `perturb_buffer_qdpt()`
- `primitive_value()`
- `print_det()`
- `print_e_conv()`
- `print_extrapolated_energy()`
- `print_generators_bitmasks_holes()`
- `print_generators_bitmasks_holes_for_one_generator()`
- `print_generators_bitmasks_particles()`
- `print_generators_bitmasks_particles_for_one_generator()`
- `print_memory_usage()`
- `print_spindet()`
- `print_summary()`
- `print_wf()`
- `provide_all_mo_integrals_erf()`
- `provide_everything()`
- `pt2()`
- `pt2_dummy()`
- `pt2_epstein_nesbet()`
- `pt2_epstein_nesbet_2x2()`
- `pt2_epstein_nesbet_2x2_no_ci_diag()`
- `pt2_find_sample()`
- `pt2_find_sample_lr()`
- `pt2_moller_plesset()`
- `pt2_qdpt()`
- `pt2_slave_inproc()`
- `pull_pt2()`
- `pull_pt2_results()`
- `pull_selection_results()`
- `push_integrals()`
- `push_pt2()`
- `push_pt2_results()`
- `push_selection_results()`
- `qp_stop()`
- `qrpa()`
- `qrpad()`
- `qrpadd()`
- `quick_dsort()`
- `quick_i2sort()`
- `quick_i8sort()`
- `quick_isort()`
- `quick_sort()`
- `read_dets()`
- `recentered_poly2()`
- `remove_duplicates_in_psi_det()`
- `remove_duplicates_in_selection_buffer()`
- `remove_small_contributions()`
- `reorder_core_orb()`
- `reset_zmq_addresses()`
- `resident_memory()`
- `resize_h_apply_buffer()`
- `rho_ab_to_rho_oc()`
- `rho_oc_to_rho_ab()`
- `rint()`
- `rint1()`
- `rint_large_n()`
- `rint_sum()`
- `rinteg()`
- `rintgauss()`
- `roothaan_hall_scf()`
- `routine()`
- `routine_e_conv()`
- `routine_example_psi_det()`
- `routine_save_one_e_dm()`
- `rs_ks_scf()`
- `run()`
- `run_cipsi()`
- `run_pt2_slave()`
- `run_selection_slave()`
- `run_slave_cipsi()`
- `run_slave_main()`
- `run_stochastic_cipsi()`
- `s2_u_0()`
- `s2_u_0_nstates()`
- `sabpartial()`
- `save_energy()`
- `save_erf_two_e_integrals_ao()`
- `save_erf_two_e_integrals_mo()`
- `save_erf_two_e_ints_ao_into_ints_ao()`
- `save_erf_two_e_ints_mo_into_ints_mo()`
- `save_iterations()`
- `save_mos()`
- `save_mos_truncated()`
- `save_natorb()`
- `save_natural_mos()`
- `save_one_e_dm()`
- `save_ortho_mos()`
- `save_ref_determinant()`
- `save_wavefunction()`
- `save_wavefunction_general()`
- `save_wavefunction_specified()`
- `save_wavefunction_truncated()`
- `save_wavefunction_unsorted()`
- `scf()`
- `select_connected()`
- `select_singles_and_doubles()`
- `selection_collector()`
- `selection_slave_inproc()`
- `set_bit_to_integer()`
- `set_bitmask_hole_as_input()`
- `set_bitmask_particl_as_input()`
- `set_natural_mos()`
- `set_order()`
- `set_order_big()`
- `sort()`
- `sort_dets_ab()`
- `sort_dets_ab_v()`
- `sort_dets_ba_v()`
- `sort_dets_by_det_search_key()`
- `sort_selection_buffer()`
- `sorted_dnumber()`
- `sorted_i2number()`
- `sorted_i8number()`
- `sorted_inumber()`
- `sorted_number()`
- `spin_det_search_key()`
- `splash_pq()`
- `spot_isinwf()`
- `step_function_becke()`
- `svd()`
- `switch_qp_run_to_master()`
- `tamiser()`
- `task_done_to_taskserver()`
- `tasks_done_to_taskserver()`
- `testteethbuilding()`
- `total_memory()`
- `two_e_integrals_index()`
- `two_e_integrals_index_reverse()`
- `u_0_h_u_0()`
- `u_0_h_u_0_two_e()`
- `u_0_s2_u_0()`
- `u_dot_u()`
- `u_dot_v()`
- `v_e_n()`
- `v_grad_rho_oc_to_v_grad_rho_ab()`
- `v_phi()`
- `v_r()`
- `v_rho_ab_to_v_rho_oc()`
- `v_rho_oc_to_v_rho_ab()`
- `v_theta()`
- `vcorrlr()`
- `wait_for_next_state()`
- `wait_for_state()`
- `wait_for_states()`
- `wall_time()`
- `wallis()`
- `wf_of_psi_bilinear_matrix()`
- `write_ao_basis()`
- `write_bool()`
- `write_double()`
- `write_geometry()`
- `write_git_log()`
- `write_int()`
- `write_integrals_erf()`
- `write_intro_gamess()`
- `write_mo_basis()`
- `write_spindeterminants()`
- `write_time()`
- `zmq_abort()`
- `zmq_delete_task()`
- `zmq_delete_tasks()`
- `zmq_delete_tasks_async_recv()`
- `zmq_delete_tasks_async_send()`
- `zmq_get8_dvector()`
- `zmq_get8_ivector()`
- `zmq_get_dmatrix()`
- `zmq_get_dvector()`
- `zmq_get_i8matrix()`
- `zmq_get_imatrix()`
- `zmq_get_int()`
- `zmq_get_int_nompi()`
- `zmq_get_ivector()`
- `zmq_get_n_det()`
- `zmq_get_n_det_alpha_unique()`
- `zmq_get_n_det_beta_unique()`
- `zmq_get_n_det_generators()`
- `zmq_get_n_det_selectors()`
- `zmq_get_n_states()`
- `zmq_get_n_states_diag()`
- `zmq_get_psi()`
- `zmq_get_psi_bilinear()`
- `zmq_get_psi_bilinear_matrix_columns()`
- `zmq_get_psi_bilinear_matrix_order()`
- `zmq_get_psi_bilinear_matrix_rows()`
- `zmq_get_psi_bilinear_matrix_values()`
- `zmq_get_psi_coef()`
- `zmq_get_psi_det()`
- `zmq_get_psi_det_alpha_unique()`
- `zmq_get_psi_det_beta_unique()`
- `zmq_get_psi_det_size()`
- `zmq_get_psi_notouch()`
- `zmq_port()`
- `zmq_pt2()`
- `zmq_put8_dvector()`
- `zmq_put8_ivector()`
- `zmq_put_dmatrix()`
- `zmq_put_dvector()`
- `zmq_put_i8matrix()`
- `zmq_put_imatrix()`
- `zmq_put_int()`
- `zmq_put_ivector()`
- `zmq_put_n_det()`
- `zmq_put_n_det_alpha_unique()`
- `zmq_put_n_det_beta_unique()`
- `zmq_put_n_det_generators()`
- `zmq_put_n_det_selectors()`
- `zmq_put_n_states()`
- `zmq_put_n_states_diag()`
- `zmq_put_psi()`
- `zmq_put_psi_bilinear()`
- `zmq_put_psi_bilinear_matrix_columns()`
- `zmq_put_psi_bilinear_matrix_order()`
- `zmq_put_psi_bilinear_matrix_rows()`
- `zmq_put_psi_bilinear_matrix_values()`
- `zmq_put_psi_coef()`
- `zmq_put_psi_det()`
- `zmq_put_psi_det_alpha_unique()`
- `zmq_put_psi_det_beta_unique()`
- `zmq_put_psi_det_size()`
- `zmq_selection()`
- `zmq_set_running()`