A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | _

A: ab_sint_os (ai_operators_r12); accattempt (mc_types); accept_socket (sockets_interface); accurate_dot_product (kahan_sum); accurate_dot_product_2 (kahan_sum); accurate_sum (kahan_sum); active_space_type (qs_active_space_types); add_set_type (qmmm_types_low); add_shell_type (qmmm_types_low); add_submatrices (domain_submatrix_methods); admm_control_type (cp_control_types); admm_dm_type (admm_dm_types); admm_gapw_r3d_rs_type (admm_types); admm_type (admm_types); al_system_type (al_system_types); alist_type (sap_kind_types); all_potential_type (external_potential_types); allegro_data_type (fist_nonbond_env_types); allegro_pot_type (pair_potential_types); allocate_any (dbt_allocate_wrap); allocate_potential (external_potential_types); almo_scf_diis_init (almo_scf_diis_types); almo_scf_diis_type (almo_scf_diis_types); almo_scf_env_type (almo_scf_types); almo_scf_history_type (almo_scf_types); amber_info_type (force_field_types); amn_l (semi_empirical_par_utils); ao_charges (mulliken); apply_preconditioner (preconditioner); arnoldi_control_type (arnoldi_types); arnoldi_data_type (arnoldi_types); arnoldi_env_type (arnoldi_types); array1_list_type (topology_util); array2_list_type (topology_util); array_eq (dbt_tas_util); array_list (dbt_array_list_methods); atom_basis_type (atom_types); atom_ecppot_type (atom_types); atom_gthpot_type (atom_types); atom_hfx_type (atom_types); atom_history_type (atom_optimization); atom_info_type (topology_types); atom_integrals (atom_types); atom_integration_grid_type (qs_grid_atom); atom_optimization_type (atom_types); atom_orbitals (atom_types); atom_p_type (atom_types); atom_pair_type (task_list_types); atom_pairs_type (tmc_analysis_types); atom_potential_type (atom_types); atom_sgp_potential_type (atom_sgp); atom_sgppot_type (atom_types); atom_state (atom_types); atom_type (atom_types); atom_type (molecule_kind_types); atom_upfpot_type (atom_upf); atomic_kind_list_p_type (atomic_kind_list_types); atomic_kind_list_type (atomic_kind_list_types); atomic_kind_type (atomic_kind_types); atprop_type (atprop_types); average_quantities_type (averages_types)

C: cab_store; calc_fx (xc_functionals_utilities); calc_rs (xc_functionals_utilities); calculate_density_matrix (qs_density_matrices); calculate_ptrace (qs_core_energies); calculate_rho_core (qs_collocate_density); calculate_rho_resp_all (qs_collocate_density); calculate_subspace_eigenvalues (qs_mo_methods); calculate_w_matrix (qs_density_matrices); call_stat_type (timings_base_type); callgraph_item_type (callgraph); callgraph_type (callgraph); callstack_entry_type (timings_base_type); carray (lri_environment_types); ccquad_type (negf_integr_cc); cdft_control_type (qs_cdft_types); cdft_group_type (qs_cdft_types); cdft_opt_type (qs_cdft_opt_types); cell_opt_env_type (cell_opt_types); cell_p_type (cell_types); cell_type (cell_types); charmm_info_type (force_field_types); clebsch_gordon (spherical_harmonics); clist_type (sap_kind_types); close_socket (sockets_interface); collocation_integration_; colvar_constraint_type (molecule_kind_types); colvar_counters (colvar_types); colvar_p_type (colvar_types); colvar_type (colvar_types); combine_ks_matrices (qs_scf_methods); connectivity_info_type (topology_types); constr_list_type (topology_types); constraint_info_type (topology_types); context_info (rocm_backend); contraction (ai_contraction); copy_cfm_info_type (cp_cfm_types); copy_info_type (cp_fm_types); copy_potential (external_potential_types); copy_submatrices (domain_submatrix_methods); cp2k_csr_interop_type; cp2k_csr_interop_type (transport_env_types); cp2k_transport_parameters; cp2k_transport_parameters (transport_env_types); cp_1d_c_cp_type (cp_array_utils); cp_1d_c_p_type (cp_array_utils); cp_1d_i_cp_type (cp_array_utils); cp_1d_i_p_type (cp_array_utils); cp_1d_logical_cp_type (cp_array_utils); cp_1d_logical_p_type (cp_array_utils); cp_1d_r_cp_type (cp_array_utils); cp_1d_r_p_type (cp_array_utils); cp_1d_z_p_type (qs_density_mixing_types); cp_2d_c_cp_type (cp_array_utils); cp_2d_c_p_type (cp_array_utils); cp_2d_i_cp_type (cp_array_utils); cp_2d_i_p_type (cp_array_utils); cp_2d_logical_cp_type (cp_array_utils); cp_2d_logical_p_type (cp_array_utils); cp_2d_r_cp_type (cp_array_utils); cp_2d_r_p_type (cp_array_utils); cp_3d_c_cp_type (cp_array_utils); cp_3d_c_p_type (cp_array_utils); cp_3d_i_cp_type (cp_array_utils); cp_3d_i_p_type (cp_array_utils); cp_3d_logical_cp_type (cp_array_utils); cp_3d_logical_p_type (cp_array_utils); cp_3d_r_cp_type (cp_array_utils); cp_3d_r_p_type (cp_array_utils); cp_blacs_env_type (cp_blacs_env); cp_blacs_type (cp_blacs_types); cp_cfm_p_type (cp_cfm_types); cp_cfm_scale (cp_cfm_basic_linalg); cp_cfm_to_cfm (cp_cfm_types); cp_cfm_type (cp_cfm_types); cp_create (cp_linked_list_fm); cp_create (cp_linked_list_input); cp_create (cp_linked_list_pw); cp_create (cp_linked_list_xc_deriv); cp_ddapc_ewald_type (cp_ddapc_types); cp_ddapc_type (cp_ddapc_types); cp_dealloc (cp_linked_list_fm); cp_dealloc (cp_linked_list_input); cp_dealloc (cp_linked_list_pw); cp_dealloc (cp_linked_list_xc_deriv); cp_eri_mme_param (cp_eri_mme_interface); cp_eri_mme_set_params (cp_eri_mme_interface); cp_fm_contracted_trace (cp_fm_basic_linalg); cp_fm_p_type (cp_fm_types); cp_fm_pool_p_type (cp_fm_pool_types); cp_fm_pool_type (cp_fm_pool_types); cp_fm_redistribute_info (cp_fm_diag_utils); cp_fm_release (cp_fm_types); cp_fm_struct_p_type (cp_fm_struct); cp_fm_struct_type (cp_fm_struct); cp_fm_to_fm (cp_fm_types); cp_fm_trace (cp_fm_basic_linalg); cp_fm_type (cp_fm_types); cp_get_element_at (cp_linked_list_input); cp_get_element_at (cp_linked_list_fm); cp_get_element_at (cp_linked_list_xc_deriv); cp_get_element_at (cp_linked_list_pw); cp_get_first_el (cp_linked_list_fm); cp_get_first_el (cp_linked_list_input); cp_get_first_el (cp_linked_list_pw); cp_get_first_el (cp_linked_list_xc_deriv); cp_get_length (cp_linked_list_fm); cp_get_length (cp_linked_list_input); cp_get_length (cp_linked_list_pw); cp_get_length (cp_linked_list_xc_deriv); cp_get_rest (cp_linked_list_input); cp_get_rest (cp_linked_list_xc_deriv); cp_get_rest (cp_linked_list_pw); cp_get_rest (cp_linked_list_fm); cp_guarantee_size (cp_array_utils); cp_heap_type (cp_min_heap); cp_insert (cp_linked_list_fm); cp_insert (cp_linked_list_input); cp_insert (cp_linked_list_pw); cp_insert (cp_linked_list_xc_deriv); cp_iteration_info_type (cp_iter_types); cp_lbfgs_opt_gopt_type (cp_lbfgs_optimizer_gopt); cp_libint_t (libint_wrapper); cp_logger_p_type (cp_log_handling); cp_logger_type (cp_log_handling); cp_next (cp_linked_list_fm); cp_next (cp_linked_list_input); cp_next (cp_linked_list_pw); cp_next (cp_linked_list_xc_deriv); cp_parser_type (cp_parser_types); cp_pexsi_options (pexsi_interface); cp_remove_all (cp_linked_list_pw); cp_remove_all (cp_linked_list_xc_deriv); cp_remove_all (cp_linked_list_input); cp_remove_all (cp_linked_list_fm); cp_remove_el (cp_linked_list_fm); cp_remove_el (cp_linked_list_input); cp_remove_el (cp_linked_list_pw); cp_remove_el (cp_linked_list_xc_deriv); cp_remove_first_el (cp_linked_list_fm); cp_remove_first_el (cp_linked_list_input); cp_remove_first_el (cp_linked_list_pw); cp_remove_first_el (cp_linked_list_xc_deriv); cp_result_p_type (cp_result_types); cp_result_type (cp_result_types); cp_set_element_at (cp_linked_list_fm); cp_set_element_at (cp_linked_list_xc_deriv); cp_set_element_at (cp_linked_list_input); cp_set_element_at (cp_linked_list_pw); cp_sll_1d_c_p_type (cp_linked_list_pw); cp_sll_1d_c_type (cp_linked_list_pw); cp_sll_1d_r_p_type (cp_linked_list_pw); cp_sll_1d_r_type (cp_linked_list_pw); cp_sll_3d_c_p_type (cp_linked_list_pw); cp_sll_3d_c_type (cp_linked_list_pw); cp_sll_3d_r_p_type (cp_linked_list_pw); cp_sll_3d_r_type (cp_linked_list_pw); cp_sll_char_p_type (cp_linked_list_input); cp_sll_char_type (cp_linked_list_input); cp_sll_fm_p_type (cp_linked_list_fm); cp_sll_fm_type (cp_linked_list_fm); cp_sll_int_p_type (cp_linked_list_input); cp_sll_int_type (cp_linked_list_input); cp_sll_logical_p_type (cp_linked_list_input); cp_sll_logical_type (cp_linked_list_input); cp_sll_real_p_type (cp_linked_list_input); cp_sll_real_type (cp_linked_list_input); cp_sll_rs_p_type (cp_linked_list_pw); cp_sll_rs_type (cp_linked_list_pw); cp_sll_val_p_type (cp_linked_list_input); cp_sll_val_type (cp_linked_list_input); cp_sll_xc_deriv_p_type (cp_linked_list_xc_deriv); cp_sll_xc_deriv_type (cp_linked_list_xc_deriv); cp_subsys_p_type (cp_subsys_types); cp_subsys_type (cp_subsys_types); cp_to_array (cp_linked_list_fm); cp_to_array (cp_linked_list_input); cp_to_array (cp_linked_list_pw); cp_to_array (cp_linked_list_xc_deriv); cp_to_string (cp_log_handling); cp_unit_set_type (cp_units); cp_unit_type (cp_units); create_block (dbt_block); create_group_dist (group_dist_types); create_sab_matrix (qs_overlap); csvr_system_type (csvr_system_types); csym_type (cryssym); ct_step_env_type (ct_types); cube_info_type (cube_utils); current_env_type (qs_linres_types)

D: damp_v (integrator_utils); damping_info_type (damping_dipole_types); damping_p_type (damping_dipole_types); damping_type (damping_dipole_types); data_3_type (post_scf_bandstructure_types); davidson_type (qs_block_davidson_types); dbcsr_allocate_matrix_set (cp_dbcsr_operations); dbcsr_create (cp_dbcsr_api); dbcsr_deallocate_matrix_set (cp_dbcsr_operations); dbcsr_distribution_type (cp_dbcsr_api); dbcsr_iterator_type (cp_dbcsr_api); dbcsr_p_type (cp_dbcsr_api); dbcsr_type (cp_dbcsr_api); dbm_block_t; dbm_comm_iterator_t; dbm_dist_1d_t; dbm_distribution_obj (dbm_api); dbm_distribution_t; dbm_iterator (dbm_api); dbm_iterator_t; dbm_matrix_t; dbm_memchunk; dbm_memstats_t; dbm_pack_block_t; dbm_pack_t; dbm_packed_matrix_t; dbm_shard_t; dbm_task_t; dbm_type (dbm_api); dbt_contraction_storage (dbt_types); dbt_create (dbt_types); dbt_distribution_type (dbt_types); dbt_get_block (dbt_block); dbt_iterator_type (dbt_block); dbt_pgrid_type (dbt_types); dbt_put_block (dbt_block); dbt_reserve_blocks (dbt_block); dbt_tas_blk_size_arb (dbt_tas_global); dbt_tas_blk_size_one (dbt_tas_global); dbt_tas_blk_size_repl (dbt_tas_global); dbt_tas_create (dbt_tas_base); dbt_tas_dist_arb (dbt_tas_global); dbt_tas_dist_cyclic (dbt_tas_global); dbt_tas_dist_repl (dbt_tas_global); dbt_tas_distribution (dbt_tas_global); dbt_tas_distribution_type (dbt_tas_types); dbt_tas_iterator (dbt_tas_types); dbt_tas_iterator_next_block (dbt_tas_base); dbt_tas_mm_storage (dbt_tas_types); dbt_tas_mp_comm (dbt_tas_split); dbt_tas_reserve_blocks (dbt_tas_base); dbt_tas_rowcol_data (dbt_tas_global); dbt_tas_split_info (dbt_tas_types); dbt_tas_type (dbt_tas_types); dbt_type (dbt_types); dcdr_env_type (qs_linres_types); dcnum_type (qs_dispersion_cnum); dct_type (dct); ddapc_restraint_type (cp_control_types); deallocate_potential (external_potential_types); decontraction (ai_contraction); deepmd_data_type (fist_nonbond_env_types); deepmd_model_type (deepmd_wrapper); deepmd_pot_type (pair_potential_types); derived_basis_info (optimize_basis_types); det_3x3 (mathlib); dft_control_type (cp_control_types); dftb_control_type (cp_control_types); dg_get_patch (dgs); dg_rho0_type (dg_rho0_types); dg_sum_patch (dgs); dg_sum_patch_force_1d (dgs); dg_sum_patch_force_3d (dgs); dg_type (dg_types); dgemm_counter_type (dgemm_counter_types); dgemm_params_; diagonalise (eigenvalueproblems); dielectric_compute (dielectric_methods); dielectric_parameters (dielectric_types); dielectric_type (dielectric_types); dimer_env_type (dimer_types); dint_type (lri_integrals); dipole_moment_type (tmc_analysis_types); dirichlet_bc_p_type (dirichlet_bc_types); dirichlet_bc_parameters (dirichlet_bc_types); dirichlet_bc_type (dirichlet_bc_types); distribution_1d_type (distribution_1d_types); distribution_2d_type (distribution_2d_types); distribution_3d_type (qs_tensors_types); domain_map_type (domain_submatrix_types); domain_submatrix_type (domain_submatrix_types); donor_state_type (xas_tdp_types); dy_lm (spherical_harmonics)

E: eam_pot_type (pair_potential_types); eam_type (fist_nonbond_env_types); ecoul_1center_type (hartree_local_types); eeq_solver_type (eeq_input); efield_berry_type (qs_period_efield_types); efield_type (cp_control_types); eip_environment_type (eip_environment_types); elem_array_type (tmc_tree_types); elem_list_type (tmc_tree_types); embed_env_type (embed_types); energy_correction_type (ec_env_types); energy_correction_type (kg_environment_types); enumeration_type (input_enumeration_types); epr_env_type (qs_linres_types); equidistant_nodes_a_b (negf_integr_utils); eri (atom_types); eri_mme_param (eri_mme_types); eri_type (qs_active_space_types); eri_type_eri_element_func (qs_active_space_types); eri_type_eri_element_func_interface (qs_active_space_types); et_coupling_type (et_coupling_types); ewald_environment_type (ewald_environment_types); ewald_pw_type (ewald_pw_types); excited_energy_type (exstates_types); exciton_descr_type (bse_properties); exclusion_type (exclusion_types); expot_control_type (cp_control_types)

F: f_env_type (f77_interface); farming_env_type (farming_types); fb_atomic_halo_list_obj (qs_fb_atomic_halo_types); fb_atomic_halo_obj (qs_fb_atomic_halo_types); fb_buffer_add (qs_fb_buffer_types); fb_buffer_create (qs_fb_buffer_types); fb_buffer_d_obj (qs_fb_buffer_types); fb_buffer_get (qs_fb_buffer_types); fb_buffer_has_data (qs_fb_buffer_types); fb_buffer_nullify (qs_fb_buffer_types); fb_buffer_release (qs_fb_buffer_types); fb_buffer_replace (qs_fb_buffer_types); fb_com_atom_pairs_obj (qs_fb_com_tasks_types); fb_com_tasks_obj (qs_fb_com_tasks_types); fb_env_obj (qs_fb_env_types); fb_hash_table_obj (qs_fb_hash_table_types); fb_matrix_data_obj (qs_fb_matrix_data_types); fb_trial_fns_obj (qs_fb_trial_fns_types); fft3d (fft_tools); fft_plan_type (fft_plan); fft_scratch_pool_type (fft_tools); fft_scratch_sizes (fft_tools); fft_scratch_type (fft_tools); fftw_alloc (fftw3_lib); fftw_dealloc (fftw3_lib); find_boundary (util); fist_efield_type (fist_efield_types); fist_energy_type (fist_energy_types); fist_environment_type (fist_environment_types); fist_neighbor_type (fist_neighbor_list_types); fist_nonbond_env_type (fist_nonbond_env_types); fist_potential_type (external_potential_types); fixd_constraint_type (molecule_kind_types); flex_basis_type (optimize_basis_types); fm_pools_create_fm_vect (cp_fm_pool_types); fm_pools_give_back_fm_vect (cp_fm_pool_types); force_env_p_type (force_env_types); force_env_type (force_env_types); force_field_type (force_field_types); force_trace (ai_contraction); fp_type (fp_types); free_energy_type (free_energy_types); ft_pot_type (pair_potential_types); full_kernel_env_type (qs_kernel_types)

G: g3x3_constraint_type (molecule_kind_types); g4x6_constraint_type (molecule_kind_types); gal21_pot_type (pair_potential_types); gal_pot_type (pair_potential_types); gapw_control_type (cp_control_types); get_averages (averages_types); get_group_dist (group_dist_types); get_hartree (rt_bse); get_ith_array (dbt_array_list_methods); get_memory_usage (qs_integral_utils); get_none0_cg_list (qs_harmonics_atom); get_patch (spme); get_potential (external_potential_types); get_results (cp_result_methods); get_sigma (rt_bse); glbopt_master_type (glbopt_master); glbopt_mdctrl_data_type (mdctrl_types); glbopt_worker_type (glbopt_worker); gle_type (gle_system_types); global_constraint_type (molecule_types); global_environment_type (global_types); global_tree_type (tmc_tree_types); gopt_f_type (gopt_f_types); gopt_param_type (gopt_param_types); gpu_vector (rocm_backend); graph_type (graphcon); green_functions_cache_type (negf_green_cache); greens_fn_type (pw_poisson_types); grid_atom_type (qs_grid_atom); grid_basis_set; grid_basis_set_type (grid_api); grid_context_; grid_cpu_layout; grid_cpu_task; grid_cpu_task_list; grid_info (rocm_backend); grid_library_config; grid_library_globals; grid_ref_layout; grid_ref_task; grid_ref_task_list; grid_sphere_cache; grid_sphere_cache_entry; grid_task_list; grid_task_list_type (grid_api); gridlevel_info_type (gaussian_gridlevels); gromos_info_type (force_field_types); group_dist_d0_type (group_dist_types); group_dist_d1_type (group_dist_types); gt_elem_list_type (tmc_tree_types); gth_potential_p_type (external_potential_types); gth_potential_type (external_potential_types); gto_basis_set_p_type (basis_set_types); gto_basis_set_type (basis_set_types)

H: harmonics_atom_type (qs_harmonics_atom); harris_energy_type (qs_harris_types); harris_rhoin_type (qs_harris_types); harris_type (qs_harris_types); hartree_local_type (hartree_local_types); helium_solvent_p_type (helium_types); helium_solvent_type (helium_types); hfx_2d_map (hfx_types); hfx_basis_info_type (hfx_types); hfx_basis_type (hfx_types); hfx_block_range_type (hfx_types); hfx_cache_type (hfx_types); hfx_cell_type (hfx_types); hfx_compression_type (hfx_types); hfx_container_type (hfx_types); hfx_distribution (hfx_types); hfx_general_type (hfx_types); hfx_load_balance_type (hfx_types); hfx_memory_type (hfx_types); hfx_p_kind (hfx_types); hfx_pgf_list (hfx_types); hfx_pgf_product_list (hfx_types); hfx_potential_type (hfx_types); hfx_ri_type (hfx_types); hfx_screen_coeff_type (hfx_types); hfx_screening_type (hfx_types); hfx_task_list_type (hfx_types); hfx_type (hfx_types); hills_env_type (metadynamics_types); hirshfeld_constraint_type (qs_cdft_types); hirshfeld_type (hirshfeld_types); history_fingerprint_type (glbopt_history); history_type (glbopt_history)

J: jrho_atom_type (qs_linres_types)

L: lbfgs_history_type (almo_scf_lbfgs_types); ldiffs_value (rocm_backend); legendre_data_type (force_field_kind_types); lib_pexsi_env (pexsi_types); libgrpp_finalize (libgrpp); libgrpp_grpp_t; libgrpp_init (libgrpp); libgrpp_parameters_t; libgrpp_potential_t; libgrpp_set_angular_screening_tolerance (libgrpp); libgrpp_set_cartesian_order (libgrpp); libgrpp_set_default_parameters (libgrpp); libgrpp_set_modified_bessel_tolerance (libgrpp); libgrpp_set_radial_tolerance (libgrpp); libgrpp_shell_t; libgrpp_spin_orbit_integrals (libgrpp); libgrpp_spin_orbit_integrals_gradient (libgrpp); libgrpp_type1_integrals (libgrpp); libgrpp_type1_integrals_gradient (libgrpp); libgrpp_type2_integrals (libgrpp); libgrpp_type2_integrals_gradient (libgrpp); libint_potential_type (libint_2c_3c); linesearch_type (linesearch); linres_control_type (qs_linres_types); list_callstackentry_type (list_callstackentry); list_destroy (list); list_get (list); list_init (list); list_isready (list); list_peek (list); list_pop (list); list_push (list); list_routinereport_type (list_routinereport); list_routinestat_type (list_routinestat); list_size (list); list_timerenv_type (list_timerenv); listen_socket (sockets_interface); lnhc_parameters_type (extended_system_types); local_atoms_type (qs_neighbor_lists); local_colvar_constraint_type (molecule_types); local_constraint_type (molecule_types); local_fixd_constraint_type (molecule_kind_types); local_g3x3_constraint_type (molecule_types); local_g4x6_constraint_type (molecule_types); local_gemm_ctxt_type (local_gemm_api); local_potential_type (external_potential_types); local_rho_type (qs_local_rho_types); local_states_type (molecule_types); localized_wfn_control_type (qs_loc_types); lri_density_type (lri_environment_types); lri_environment_type (lri_environment_types); lri_force_type (lri_environment_types); lri_int_rho_type (lri_environment_types); lri_int_type (lri_environment_types); lri_kind_type (lri_environment_types); lri_list_type (lri_environment_types); lri_opt_type (lri_optimize_ri_basis_types); lri_rhoab_type (lri_environment_types); ls_mstruct_type (dm_ls_scf_types); ls_scf_curvy_type (dm_ls_scf_types); ls_scf_env_type (dm_ls_scf_types)

M: m_cpuid_static (machine); m_omp_trace_issues (machine); m_x_v_vectors_type (arnoldi_types); make_basis_sv (qs_mo_methods); map_info_type (extended_system_types); map_pn (pw_grid_types); maxwell_control_type (cp_control_types); mc_averages_p_type (mc_types); mc_averages_type (mc_types); mc_ekin_type (mc_types); mc_environment_p_type (mc_environment_types); mc_environment_type (mc_environment_types); mc_input_file_type (mc_types); mc_molecule_info_type (mc_types); mc_moves_p_type (mc_types); mc_moves_type (mc_types); mc_simpar_type (mc_types); mc_simulation_parameters_p_type (mc_types); mcweeny_history_type (admm_dm_types); md_ener_type (md_ener_types); md_environment_type (md_environment_types); mdctrl_type (mdctrl_types); mep_input_data_type (graph_utils); meta_env_type (metadynamics_types); metavar_type (metadynamics_types); mincrawl_type (glbopt_mincrawl); minhop_type (glbopt_minhop); mixed_cdft_settings_type (mixed_cdft_types); mixed_cdft_type (mixed_cdft_types); mixed_energy_type (mixed_energy_types); mixed_environment_type (mixed_environment_types); mixed_force_type (mixed_energy_types); mixing_storage_type (qs_density_mixing_types); mmd_data; mo_set_p_type (qs_mo_types); mo_set_type (qs_mo_types); molecular_scf_guess_env_type (mscfg_types); molecule_kind_list_p_type (molecule_kind_list_types); molecule_kind_list_type (molecule_kind_list_types); molecule_kind_type (molecule_kind_types); molecule_list_p_type (molecule_list_types); molecule_list_type (molecule_list_types); molecule_type (molecule_types); molsym_type (molsym); mp2_biel_type (mp2_types); mp2_eri_force (mp2_eri); mp2_type (mp2_types); mp_allocate (message_passing); mp_cart_type (message_passing); mp_comm_type (message_passing); mp_deallocate (message_passing); mp_file_descriptor_type (message_passing); mp_file_type (message_passing); mp_info_type (message_passing); mp_para_cart_type (message_passing); mp_para_env_p_type (message_passing); mp_para_env_type (message_passing); mp_perf_env_type (mp_perf_env); mp_request_type (message_passing); mp_testall (message_passing); mp_testany (message_passing); mp_type_descriptor_type (message_passing); mp_type_make (message_passing); mp_waitall (message_passing); mp_win_type (message_passing); mpole_gau_overlap (qs_rho0_types); mpole_rho_atom (qs_rho0_types); mulliken_charges (mulliken); mulliken_restraint_type (cp_control_types); multiple_walkers_type (metadynamics_types); multiply_submatrices (domain_submatrix_methods); multipole_type (multipole_types)

N: nablavks_atom_type (qs_linres_types); nd_to_2d_mapping (dbt_index); nddo_mpole_type (semi_empirical_mpole_types); neb_type (neb_types); neb_var_type (neb_types); negf_allocatable_imatrix (negf_alloc_types); negf_allocatable_ivector (negf_alloc_types); negf_allocatable_rmatrix (negf_alloc_types); negf_allocatable_rvector (negf_alloc_types); negf_atom_map_type (negf_atom_map); negf_control_contact_type (negf_control_types); negf_control_type (negf_control_types); negf_env_contact_type (negf_env_types); negf_env_type (negf_env_types); negf_subgroup_env_type (negf_subgroup_types); neighbor_atoms_type (xtb_potentials); neighbor_kind_pairs_type (fist_neighbor_list_types); neighbor_list_3c_iterator_type (qs_tensors_types); neighbor_list_3c_type (qs_tensors_types); neighbor_list_iterator_p_type (qs_neighbor_list_types); neighbor_list_p_type (qs_neighbor_list_types); neighbor_list_set_p_type (qs_neighbor_list_types); neighbor_list_set_type (qs_neighbor_list_types); neighbor_list_task_type (qs_neighbor_list_types); nequip_data_type (fist_nonbond_env_types); nequip_pot_type (pair_potential_types); nl_hash_table_obj (qs_nl_hash_table_types); nl_sub_iterate (qs_neighbor_list_types); nmr_env_type (qs_linres_types); nnp_acsf_ang_type (nnp_environment_types); nnp_acsf_rad_type (nnp_environment_types); nnp_arc_type (nnp_environment_types); nnp_neighbor_type (nnp_environment_types); nnp_type (nnp_environment_types); normalmode_env_type (pint_types); npt_info_type (extended_system_types)

P: pab_computation_struct_; pair_correl_type (tmc_analysis_types); pair_list_element_type (hfx_types); pair_list_type (hfx_types); pair_list_type_mp2 (mp2_types); pair_potential_p_type (pair_potential_types); pair_potential_pp_type (pair_potential_types); pair_potential_single_type (pair_potential_types); pair_set_list_type (hfx_types); pao_descriptor_type (qs_kind_types); pao_env_type (pao_types); pao_ioblock_type (pao_io); pao_iokind_type (pao_io); pao_model_type (pao_types); pao_potential_type (qs_kind_types); parallel_gemm (parallel_gemm_api); parser_get_object (cp_parser_methods); particle_list_p_type (particle_list_types); particle_list_type (particle_list_types); particle_type (particle_types); paw_proj_set_type (paw_proj_set_types); pbc (cell_types); piglet_therm_type (pint_types); pile_therm_type (pint_types); pint_env_type (pint_types); plan_t; polar_env_type (qs_linres_types); pos_type (fist_nonbond_env_types); post_scf_bandstructure_type (post_scf_bandstructure_types); preconditioner_p_type (preconditioner_types); preconditioner_type (preconditioner_types); prepare_ldiffs; process_ldiffs; proj_mo_type (cp_control_types); ps_implicit_parameters (ps_implicit_types); ps_implicit_type (ps_implicit_types); ps_wavelet_type (ps_wavelet_types); purify_mcweeny (iterate_matrix); put_results (cp_result_methods); pw_axpy (pw_methods); pw_c1d_gs_p_type (pw_types); pw_c1d_gs_type (pw_types); pw_c1d_rs_p_type (pw_types); pw_c1d_rs_type (pw_types); pw_c3d_gs_p_type (pw_types); pw_c3d_gs_type (pw_types); pw_c3d_rs_p_type (pw_types); pw_c3d_rs_type (pw_types); pw_copy (pw_methods); pw_copy_from_array (pw_methods); pw_copy_to_array (pw_methods); pw_env_type (pw_env_types); pw_gather (pw_methods); pw_grid_create (pw_grids); pw_grid_type (pw_grid_types); pw_integral_a2b (pw_methods); pw_integral_ab (pw_methods); pw_integrate_function (pw_methods); pw_multiply (pw_methods); pw_multiply_with (pw_methods); pw_poisson_parameter_type (pw_poisson_types); pw_poisson_rebuild (pw_poisson_methods); pw_poisson_solve (pw_poisson_methods); pw_poisson_type (pw_poisson_types); pw_pool_p_type (pw_pool_types); pw_pool_type (pw_pool_types); pw_pools_create_pws (pw_pool_types); pw_pools_give_back_pws (pw_pool_types); pw_r1d_gs_p_type (pw_types); pw_r1d_gs_type (pw_types); pw_r1d_rs_p_type (pw_types); pw_r1d_rs_type (pw_types); pw_r3d_gs_p_type (pw_types); pw_r3d_gs_type (pw_types); pw_r3d_rs_p_type (pw_types); pw_r3d_rs_type (pw_types); pw_scale (pw_methods); pw_scatter (pw_methods); pw_set (pw_methods); pw_spline_precond_type (pw_spline_utils); pw_transfer (pw_methods); pw_write (pw_methods); pw_zero (pw_methods); pwdft_energy_type (pwdft_environment_types); pwdft_environment_type (pwdft_environment_types)

Q: qcschema_type (qcschema); qmmm_env_mm_type (qmmm_types_low); qmmm_env_qm_type (qmmm_types_low); qmmm_env_type (qmmm_types); qmmm_gaussian_p_type (qmmm_gaussian_types); qmmm_gaussian_type (qmmm_gaussian_types); qmmm_imomm_link_type (qmmm_types_low); qmmm_links_type (qmmm_types_low); qmmm_per_pot_p_type (qmmm_types_low); qmmm_per_pot_type (qmmm_types_low); qmmm_pot_p_type (qmmm_types_low); qmmm_pot_type (qmmm_types_low); qmmmx_env_type (qmmmx_types); qs_atom_dispersion_type (qs_dispersion_types); qs_charges_type (qs_charges_types); qs_control_type (cp_control_types); qs_dftb_atom_type (qs_dftb_types); qs_dftb_pairpot_type (qs_dftb_types); qs_diis_buffer_type (qs_diis_types); qs_diis_buffer_type_kp (qs_diis_types); qs_diis_buffer_type_sparse (qs_diis_types); qs_dispersion_type (qs_dispersion_types); qs_energy_type (qs_energy_types); qs_environment_type (qs_environment_types); qs_force_type (qs_force_types); qs_gcp_type (qs_gcp_types); qs_kind_type (qs_kind_types); qs_kpp1_env_type (qs_kpp1_env_types); qs_ks_env_type (qs_ks_types); qs_ks_qmmm_env_type (qs_ks_qmmm_types); qs_loc_env_type (qs_loc_types); qs_matrix_pools_type (qs_matrix_pools); qs_ot_settings_type (qs_ot_types); qs_ot_type (qs_ot_types); qs_outer_scf_type (outer_scf_control_types); qs_p_env_type (qs_p_env_types); qs_rho_p_type (qs_rho_types); qs_rho_type (qs_rho_types); qs_scf_env_type (qs_scf_types); qs_subsys_type (qs_subsys_types); qs_wf_history_p_type (qs_wf_history_types); qs_wf_history_type (qs_wf_history_types); qs_wf_snapshot_type (qs_wf_history_types); qtb_therm_type (pint_types); quip_data_type (fist_nonbond_env_types); quip_pot_type (pair_potential_types)

R: radial_type1_grid_t; radial_type1_params_t; radial_type1_table_t; radial_type2_grid_t; radial_type2_params_t; radial_type2_table_t; read_gto_basis_set (basis_set_types); read_potential (external_potential_types); readbuffer (sockets_interface); reallocate (memory_utilities); realspace_grid_desc_p_type (realspace_grid_types); realspace_grid_desc_type (realspace_grid_types); realspace_grid_input_type (realspace_grid_types); realspace_grid_p_type (realspace_grid_types); realspace_grid_type (realspace_grid_types); reftraj_msd_type (reftraj_types); reftraj_type (reftraj_types); rel_control_type (rel_control_types); release_group_dist (group_dist_types); release_submatrices (domain_submatrix_methods); remove_socket_file (sockets_interface); reorder_structure (topology_util); replica_env_type (replica_types); rho0_atom_type (qs_rho0_types); rho0_mpole_type (qs_rho0_types); rho_atom_coeff (qs_rho_atom_types); rho_atom_type (qs_rho_atom_types); rhoz_type (qs_local_rho_types); rng_stream_p_type (parallel_rng_types); rng_stream_type (parallel_rng_types); rotmat_type (semi_empirical_types); routine_map_item_type (routine_map); routine_map_type (routine_map); routine_report_type (timings_base_type); routine_stat_type (timings_base_type); rowcol_dist (dbt_tas_global); rpa_exchange_work_type (rpa_exchange); rpa_grad_type (rpa_grad); rpa_sigma_type (rpa_sigma_functional); rsh_coef_table_t; rt_prop_type (rt_propagation_types); rtbse_env_type (rt_bse_types); rtp_control_type (cp_control_types)

S: s2_restraint_type (cp_control_types); s2a (string_utilities); sancho_work_matrices_type (negf_green_methods); sap_int_type (sap_kind_types); scanning_type (tip_scan_types); sccs_control_type (cp_control_types); scf_control_type (scf_control_types); se_int_control_type (semi_empirical_types); se_int_screen_type (semi_empirical_types); se_taper_type (semi_empirical_types); section_type (input_section_types); section_vals_type (input_section_types); semi_empirical_control_type (cp_control_types); semi_empirical_expns3_p_type (semi_empirical_expns3_types); semi_empirical_mpole_p_type (semi_empirical_mpole_types); semi_empirical_mpole_type (semi_empirical_mpole_types); semi_empirical_p_type (semi_empirical_types); semi_empirical_si_type (semi_empirical_store_int_types); semi_empirical_type (semi_empirical_types); set (integrator_utils); set_diag (mathlib); set_mo_occupation (qs_mo_occupation); set_potential (external_potential_types); set_submatrices (domain_submatrix_methods); set_type (submatrix_types); setarray_type (submatrix_types); sgp_potential_p_type (external_potential_types); sgp_potential_type (external_potential_types); shell_kind_type (shell_potential_types); shell_p_type (shell_potential_types); shell_type (molecule_kind_types); siepmann_pot_type (pair_potential_types); siesta_distrib_csc_struct_type (smeagol_matrix_utils); simpar_type (simpar_types); simpsonrule_type (negf_integr_simpson); smeagol_control_type (smeagol_control_types); smear_type (scf_control_types); smeared_type (cp_control_types); smem_parameters (rocm_backend); smem_task (rocm_backend); smem_task_reduced (rocm_backend); soc_atom_env_type (qs_tddfpt2_soc_types); soc_env_type (qs_tddfpt2_soc_types); sort (util); sort_unique (util); spgr_type (space_groups_types); spline_data_p_type (splines_types); spline_data_type (splines_types); spline_environment_type (splines_types); spline_factor_type (splines_types); staging_env_type (pint_types); status_type (cp_parser_status_types); stda_control_type (cp_control_types); stda_env_type (qs_tddfpt2_stda_types); sto_basis_set_type (basis_set_types); structure_factor_type (structure_factor_types); subcell_type (subcell_types); submatrix_dissection_type (submatrix_dissection); subset_type (optimize_basis_types); subspace_env_type (qs_scf_types); swap (dbt_tas_util); swarm_master_type (swarm_master); swarm_message_add (swarm_message); swarm_message_get (swarm_message); swarm_message_type (swarm_message); swarm_mpi_type (swarm_mpi); swarm_worker_type (swarm_worker)

T: tab_pot_type (pair_potential_types); taper_type (taper_types); task_info (rocm_backend); task_list_type (task_list_types); task_type (task_list_types); tddfpt2_control_type (cp_control_types); tddfpt_ground_state_mos (qs_tddfpt2_types); tddfpt_subgroup_env_type (qs_tddfpt2_subgroups); tddfpt_work_matrices (qs_tddfpt2_types); tensor_; tersoff_pot_type (pair_potential_types); thermal_region_type (thermal_region_types); thermal_regions_type (thermal_region_types); thermostat_info_type (thermostat_types); thermostat_type (thermostat_types); thermostats_type (thermostat_types); three_dim_real_array (mp2_types); tile_p_type (dirichlet_bc_types); tile_type (dirichlet_bc_types); timer_env_type (timings_types); tmc_ana_list_type (tmc_analysis_types); tmc_analysis_env (tmc_analysis_types); tmc_atom_type (tmc_types); tmc_comp_set_type (tmc_types); tmc_env_type (tmc_types); tmc_move_type (tmc_move_types); tmc_param_type (tmc_types); tmp_variables_type (integrator_utils); topology_parameters_type (topology_types); torch_dict_type (torch_api); torch_model_get_attr (torch_api); torch_model_type (torch_api); torch_tensor_data_ptr (torch_api); torch_tensor_from_array (torch_api); torch_tensor_type (torch_api); torsion_kind_type (force_field_kind_types); torsion_type (molecule_kind_types); training_matrix_type (pao_types); transport_env_type (transport_env_types); tree_type (tmc_tree_types); two_dim_int_array (mp2_types); two_dim_real_array (mp2_types)

U: ub_kind_type (force_field_kind_types); ub_type (molecule_kind_types); ui_var_type (free_energy_types); unit_matrix (mathlib); update_pv (integrator_utils); uwait (sockets_interface)

V: val_p_type (input_val_types); val_type (input_val_types); vcd_env_type (qs_linres_types); vertex (graphcon); virial_p_type (virial_types); virial_type (virial_types); vsite_constraint_type (molecule_kind_types)

W: wannier_centres_type (wannier_states_types); wfn_history_type (exstates_types); write_potential (external_potential_types); writebuffer (sockets_interface)

Y: y_lm (spherical_harmonics)

_: _layout; _task