Here is a list of all data types members with links to the data types they belong to:

- n -

n : atom_types::atom_integrals, atom_types::opmat_type, basis_set_types::gto_basis_set_type, cp_min_heap::cp_heap_type, dbm_task_t, dgemm_params_, fft_plan::fft_plan_type, lri_environment_types::lri_int_type, optimize_basis_types::subset_type, pair_potential_types::tersoff_pot_type, splines_types::spline_data_type
n1 : cab_store, rocm_backend::smem_task< T >
n2 : rocm_backend::smem_task< T >
n2oindex : paw_proj_set_types::paw_proj_set_type
n_3d : fft_plan::fft_plan_type
n_aa_cuboidal : dielectric_types::dielectric_parameters, dirichlet_bc_types::dirichlet_bc_parameters
n_aa_cylindrical : dirichlet_bc_types::dirichlet_bc_parameters
n_aa_planar : dirichlet_bc_types::dirichlet_bc_parameters
n_accepted : glbopt_minhop::minhop_type
n_ang : nnp_environment_types::nnp_type
n_ang1 : nnp_environment_types::nnp_neighbor_type
n_ang2 : nnp_environment_types::nnp_neighbor_type
n_anggrp : nnp_environment_types::nnp_type
n_ao : post_scf_bandstructure_types::post_scf_bandstructure_type, qs_p_env_types::qs_p_env_type, qs_tddfpt2_stda_types::stda_env_type, rt_bse_types::rtbse_env_type
n_arep : libgrpp_grpp_t
n_atom : post_scf_bandstructure_types::post_scf_bandstructure_type, space_groups_types::spgr_type
n_atom_i : post_scf_bandstructure_types::post_scf_bandstructure_type
n_atom_j : post_scf_bandstructure_types::post_scf_bandstructure_type
n_atom_per_il_interval : post_scf_bandstructure_types::post_scf_bandstructure_type
n_atom_per_interval_ij : post_scf_bandstructure_types::post_scf_bandstructure_type
n_atom_s : colvar_types::colvar_type
n_atom_sym : space_groups_types::spgr_type
n_atoms : cp2k_transport_parameters, glbopt_worker::glbopt_worker_type, transport_env_types::cp2k_transport_parameters
n_atoms_constraints : pint_types::pint_env_type
n_bch_hist : dm_ls_scf_types::ls_scf_curvy_type
n_bins_max_for_printing : post_scf_bandstructure_types::post_scf_bandstructure_type
n_cart_comb : rsh_coef_table_t
n_cell_images : smeagol_control_types::smeagol_control_type
n_col_distribution : distribution_2d_types::distribution_2d_type
n_colvar : metadynamics_types::meta_env_type
n_committee : nnp_environment_types::nnp_type
n_core : space_groups_types::spgr_type
n_core_sym : space_groups_types::spgr_type
n_dbcsr_cell_images_to_merge : smeagol_matrix_utils::siesta_distrib_csc_struct_type
n_diis : atom_types::atom_optimization_type
n_el : distribution_1d_types::distribution_1d_type
n_el_f : qs_mo_types::mo_set_type
n_ele : nnp_environment_types::nnp_type
n_element : hfx_types::pair_list_type, mp2_types::pair_list_type_mp2
n_els : atomic_kind_list_types::atomic_kind_list_type, molecule_kind_list_types::molecule_kind_list_type, molecule_list_types::molecule_list_type, particle_list_types::particle_list_type
n_esop : libgrpp_grpp_t
n_evals : qs_ks_qmmm_types::qs_ks_qmmm_env_type, qs_ks_types::qs_ks_env_type
n_excited : xas_tdp_types::xas_tdp_control_type
n_grids : eri_mme_types::eri_mme_param
n_groups_created : optimize_basis_types::basis_optimization_type
n_hills : metadynamics_types::hills_env_type
n_hills_local : metadynamics_types::multiple_walkers_type
n_hlayer : nnp_environment_types::nnp_type
n_hnodes : nnp_environment_types::nnp_type
n_intervals_i : post_scf_bandstructure_types::post_scf_bandstructure_type
n_intervals_inner_loop_atoms : post_scf_bandstructure_types::post_scf_bandstructure_type
n_intervals_j : post_scf_bandstructure_types::post_scf_bandstructure_type
n_iter : cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type, embed_types::opt_dmfet_pot_type, embed_types::opt_embed_pot_type
n_keywords : input_section_types::section_type
n_kinds : cp_units::cp_unit_type
n_kpoint : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
n_large_basis : admm_types::admm_type
n_layer : nnp_environment_types::nnp_type
n_local : atom_sgp::atom_sgp_potential_type, atom_types::atom_sgppot_type, external_potential_types::sgp_potential_type
n_local_cols : distribution_2d_types::distribution_2d_type
n_local_rows : distribution_2d_types::distribution_2d_type
n_max : radial_type1_grid_t, radial_type1_table_t, radial_type2_grid_t, radial_type2_table_t
n_mem : hfx_types::hfx_ri_type
n_mem_flavor_switch : hfx_types::hfx_ri_type
n_mem_input : hfx_types::hfx_ri_type
n_mem_ri : hfx_types::hfx_ri_type
n_minima : glbopt_mincrawl::mincrawl_type, glbopt_minhop::minhop_type
n_minimax : eri_mme_types::eri_mme_param
n_mo : qs_p_env_types::qs_p_env_type
n_nics : qs_linres_types::nmr_env_type
n_nlcc : atom_sgp::atom_sgp_potential_type, atom_types::atom_sgppot_type, external_potential_types::sgp_potential_type
n_nodes : nnp_environment_types::nnp_arc_type
n_nonlocal : atom_sgp::atom_sgp_potential_type, atom_types::atom_sgppot_type, external_potential_types::sgp_potential_type
n_nonzero_cols : smeagol_matrix_utils::siesta_distrib_csc_struct_type
n_nonzero_elements : smeagol_matrix_utils::siesta_distrib_csc_struct_type
n_oc_shells : libgrpp_grpp_t
n_occ : cp2k_transport_parameters, post_scf_bandstructure_types::post_scf_bandstructure_type, rt_bse_types::rtbse_env_type, transport_env_types::cp2k_transport_parameters
n_operations : cryssym::csym_type, space_groups_types::spgr_type
n_operations_subset : space_groups_types::spgr_type
n_pid : cp_blacs_env::cp_blacs_env_type
n_planar : dirichlet_bc_types::dirichlet_bc_parameters
n_points_beyn : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
n_points_inv : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
n_rad : nnp_environment_types::nnp_neighbor_type, nnp_environment_types::nnp_type
n_radgrp : nnp_environment_types::nnp_type
n_rand_beyn : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
n_rand_cc_beyn : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
n_reduced_operations : space_groups_types::spgr_type
n_rejected : glbopt_minhop::minhop_type
n_rep_hf : hfx_types::hfx_type
n_rep_real : qmmm_types_low::qmmm_per_pot_type
n_repl : dbt_tas_global::dbt_tas_dist_repl
n_resp_fast : simpar_types::simpar_type
n_ri : post_scf_bandstructure_types::post_scf_bandstructure_type, rt_bse_types::rtbse_env_type
n_rlevel : cp_iter_types::cp_iteration_info_type
n_row_distribution : distribution_2d_types::distribution_2d_type
n_search : xas_tdp_types::xas_tdp_control_type
n_shell : space_groups_types::spgr_type
n_shell_sym : space_groups_types::spgr_type
n_simple_mix : qs_density_mixing_types::mixing_storage_type
n_spin : post_scf_bandstructure_types::post_scf_bandstructure_type, rt_bse_types::rtbse_env_type
n_steps : metadynamics_types::meta_env_type
n_subsections : input_section_types::section_type
n_symfgrp : nnp_environment_types::nnp_acsf_ang_type, nnp_environment_types::nnp_acsf_rad_type
n_tasks_delta_r_local : post_scf_bandstructure_types::post_scf_bandstructure_type
n_tiles : dirichlet_bc_types::dirichlet_bc_type
n_time_steps : simpar_types::simpar_type
n_urpoly : qs_dftb_types::qs_dftb_pairpot_type
n_var : input_keyword_types::keyword_type
n_vectors : pair_potential_types::gal21_pot_type, pair_potential_types::gal_pot_type
n_vir : post_scf_bandstructure_types::post_scf_bandstructure_type
n_waiting : swarm_master::swarm_master_type
n_workers : glbopt_mincrawl::mincrawl_type, glbopt_minhop::minhop_type, swarm_master::swarm_master_type
n_xaa_annular : dielectric_types::dielectric_parameters
na : lri_environment_types::int_container, lri_environment_types::lri_int_type, qs_grid_atom::atom_integration_grid_type
nablavks_atom_set : qs_linres_types::epr_env_type
nablavks_set : qs_linres_types::epr_env_type
nablavks_vec_rad_h : qs_linres_types::nablavks_atom_type
nablavks_vec_rad_s : qs_linres_types::nablavks_atom_type
nacc : tmc_tree_types::global_tree_type, tmc_tree_types::tree_type
nacid_hyd_dist : colvar_types::colvar_counters
nacid_hyd_shell : colvar_types::colvar_counters
nactive : qs_tddfpt2_stda_types::stda_env_type
naddel : qs_kind_types::qs_kind_type
nalist : sap_kind_types::sap_int_type
name : atomic_kind_types::atomic_kind_type, basis_set_types::gto_basis_set_type, cp_cfm_types::cp_cfm_type, cp_fm_types::cp_fm_type, dbm_matrix_t, dbt_types::dbt_type, external_potential_types::all_potential_type, external_potential_types::gth_potential_type, external_potential_types::local_potential_type, external_potential_types::sgp_potential_type, input_section_types::section_type, molecule_kind_types::molecule_kind_type, molecule_kind_types::shell_type, pao_io::pao_iokind_type, qs_dftb_types::qs_dftb_atom_type, qs_kind_types::qs_kind_type, semi_empirical_types::semi_empirical_type, tmc_types::tmc_atom_type
names : input_keyword_types::keyword_type, mc_types::mc_molecule_info_type
nangle : colvar_types::colvar_counters
nao : qs_linres_types::current_env_type, qs_linres_types::dcdr_env_type, qs_mo_types::mo_set_type, xas_env_types::xas_environment_type, xtb_types::xtb_atom_type
nao_aux_fit : admm_types::admm_type
nao_orb : admm_types::admm_type
naos : almo_scf_types::almo_scf_env_type
narn_old : rt_propagation_types::rt_prop_type
nat : cryssym::csym_type
nat_local : qs_density_mixing_types::mixing_storage_type
natom : atomic_kind_types::atomic_kind_type, kg_environment_types::kg_environment_type, molecule_kind_types::molecule_kind_type, qs_kind_types::qs_kind_type, reftraj_types::reftraj_type, subcell_types::subcell_type
natom_type : topology_types::topology_parameters_type
natom_types : fist_nonbond_env_types::fist_nonbond_env_type
natoms : almo_scf_types::almo_scf_env_type, cp_control_types::ddapc_restraint_type, cp_control_types::mulliken_restraint_type, dm_ls_scf_types::ls_scf_env_type, grid_context_, grid_cpu_task_list, grid_ref_task_list, qs_cdft_types::cdft_control_type, rocm_backend::context_info, topology_types::topology_parameters_type
natorb : qs_dftb_types::qs_dftb_atom_type, semi_empirical_types::semi_empirical_type, xtb_types::xtb_atom_type
nb : lri_environment_types::int_container, lri_environment_types::lri_int_type
nba : lri_environment_types::lri_int_type, lri_environment_types::lri_rhoab_type
nbad_conv : qs_cdft_types::cdft_control_type
nbas : atom_types::atom_basis_type, qs_harris_types::harris_rhoin_type
nbas_oce : iao_types::iao_env_type
nbasis_deriv_types : optimize_basis_types::basis_optimization_type
nbasis_of_domain : almo_scf_types::almo_scf_env_type
nbatch : integration_grid_types::integration_grid_type, integration_grid_types::integration_grid_value_type, qs_grid_atom::atom_integration_grid_type, xas_tdp_types::batch_info_type
nbb : lri_environment_types::lri_int_type, lri_environment_types::lri_rhoab_type
nbcols : domain_submatrix_types::domain_submatrix_type
nbend : molecule_kind_types::molecule_kind_type
nbins : hfx_types::hfx_load_balance_type
nblkcols : dbt_tas_types::dbt_tas_type, submatrix_dissection::submatrix_dissection_type
nblkrows : dbt_tas_types::dbt_tas_type, submatrix_dissection::submatrix_dissection_type
nblkrowscols_split : dbt_tas_types::dbt_tas_type
nblks : submatrix_dissection::submatrix_dissection_type
nblks_local : dbt_types::dbt_type
nblock : qs_scf_types::krylov_space_type
nblock_src : cp_cfm_types::copy_cfm_info_type, cp_fm_types::copy_info_type
nblocks : dbm_pack_t, dbm_shard_t, grid_context_, grid_cpu_task_list, grid_ref_task_list, hfx_types::hfx_load_balance_type, rocm_backend::context_info
nblocks_3c : post_scf_bandstructure_types::post_scf_bandstructure_type
nblocks_allocated : dbm_shard_t
nblocks_total : grid_context_
nbond : molecule_kind_types::molecule_kind_type
nbox : mc_types::mc_simpar_type
nbr_center : qs_linres_types::current_env_type, qs_linres_types::dcdr_env_type
nbrows : domain_submatrix_types::domain_submatrix_type
nbuffer : qs_density_mixing_types::mixing_storage_type, qs_diis_types::qs_diis_buffer_type, qs_diis_types::qs_diis_buffer_type_kp, qs_diis_types::qs_diis_buffer_type_sparse, semi_empirical_store_int_types::semi_empirical_si_type
nbx : fft_tools::fft_scratch_sizes
nbz : fft_tools::fft_scratch_sizes
nc : extended_system_types::lnhc_parameters_type, lri_environment_types::int_container
ncall : qs_density_mixing_types::mixing_storage_type, qs_diis_types::qs_diis_buffer_type, qs_diis_types::qs_diis_buffer_type_kp, qs_diis_types::qs_diis_buffer_type_sparse
ncall_p : qs_density_mixing_types::mixing_storage_type
ncdft : mixed_cdft_types::mixed_cdft_settings_type
ncell_ri : hfx_types::hfx_ri_type
ncgauprj : paw_proj_set_types::paw_proj_set_type
ncgf : basis_set_types::gto_basis_set_type
ncgf_set : basis_set_types::gto_basis_set_type
nchain_total : mc_types::mc_molecule_info_type
nchains : mc_types::mc_molecule_info_type
ncl : atom_types::atom_gthpot_type
nclist : sap_kind_types::alist_type
ncn : molsym::molsym_type
ncoeff : lri_optimize_ri_basis_types::lri_opt_type
ncol_block : cp_fm_struct::cp_fm_struct_type
ncol_global : cp_fm_struct::cp_fm_struct_type
ncol_locals : cp_fm_struct::cp_fm_struct_type
ncols : dbm_matrix_t, domain_submatrix_types::domain_submatrix_type, smeagol_matrix_utils::siesta_distrib_csc_struct_type
ncols_total : cp2k_csr_interop_type, transport_env_types::cp2k_csr_interop_type
ncolv : molecule_kind_types::molecule_kind_type, molecule_types::global_constraint_type
ncolvar : free_energy_types::free_energy_type
ncombinations : optimize_basis_types::basis_optimization_type
ncombinecvs : colvar_types::colvar_counters
ncon_tot : optimize_basis_types::subset_type
nconst_colv : topology_types::constraint_info_type
nconst_g33 : topology_types::constraint_info_type
nconst_g46 : topology_types::constraint_info_type
nconst_vsite : topology_types::constraint_info_type
nconstraint : mixed_cdft_types::mixed_cdft_type
ncontr : optimize_basis_types::derived_basis_info
ncoord : colvar_types::colvar_counters
ncoseta : rocm_backend::smem_task< T >, rocm_backend::task_info
ncosetb : rocm_backend::smem_task< T >, rocm_backend::task_info
ncrc_beyn : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
nct_lpot : atom_types::atom_gthpot_type, external_potential_types::gth_potential_type
nct_lsd : atom_types::atom_gthpot_type, external_potential_types::gth_potential_type
nct_nlcc : atom_types::atom_gthpot_type, external_potential_types::gth_potential_type
nd3_exclude_pair : qs_dispersion_types::qs_dispersion_type
nd_dist : dbt_types::dbt_distribution_type, dbt_types::dbt_type
nd_index : dbt_types::dbt_type
nd_index_blk : dbt_types::dbt_type
nd_index_grid : dbt_types::dbt_pgrid_type
ndfunct : colvar_types::colvar_counters
ndiis : almo_scf_types::optimizer_options_type
ndim : gle_system_types::gle_type, pint_types::piglet_therm_type, pint_types::pint_env_type, replica_types::replica_env_type
ndim1_2d : dbt_index::nd_to_2d_mapping
ndim2_2d : dbt_index::nd_to_2d_mapping
ndim_nd : dbt_index::nd_to_2d_mapping
ndist : colvar_types::colvar_counters
ndo_mo : xas_tdp_types::donor_state_type
ndod : molsym::molsym_type
ndomains : almo_scf_types::almo_scf_env_type
neb_section : neb_types::neb_type
need_initial_scf : pao_types::pao_env_type
need_orbital_energies : almo_scf_types::almo_scf_env_type
need_pot : qs_cdft_types::cdft_control_type
need_previous_ks : almo_scf_types::almo_scf_env_type
need_virtuals : almo_scf_types::almo_scf_env_type
needs_ortho : qs_scf_types::qs_scf_env_type
needs_s_inv : dm_ls_scf_types::ls_scf_env_type
neg : pw_grid_types::map_pn
neglect_quadratic_term : ct_types::ct_step_env_type
neglect_threshold : almo_scf_types::optimizer_options_type
neighbor_cells : hfx_types::hfx_type
neighbor_kind_pairs : fist_neighbor_list_types::fist_neighbor_type
neighbor_list : qs_neighbor_list_types::neighbor_list_p_type
neighbor_list_id : qs_ks_types::qs_ks_env_type
neighbor_list_set : qs_neighbor_list_types::neighbor_list_set_p_type
neighbors : qs_dispersion_cnum::dcnum_type
neighbours : realspace_grid_types::realspace_grid_desc_type
nel_list : cp_parser_ilist_types::ilist_type
nel_tot : xas_control::xas_control_type
nelec_active : qs_active_space_types::active_space_type
nelec_inactive : qs_active_space_types::active_space_type
nelec_total : qs_active_space_types::active_space_type
nelectron : molecule_kind_types::molecule_kind_type, qs_mo_types::mo_set_type, qs_scf_types::qs_scf_env_type
nelectron_alpha : molecule_kind_types::molecule_kind_type
nelectron_beta : molecule_kind_types::molecule_kind_type
nelectron_spin : dm_ls_scf_types::ls_scf_env_type, qs_subsys_types::qs_subsys_type
nelectron_total : dm_ls_scf_types::ls_scf_env_type, hfx_types::hfx_ri_type
nelectrons_spin : almo_scf_types::almo_scf_env_type
nelectrons_total : almo_scf_types::almo_scf_env_type
nelements_per_proc : smeagol_matrix_utils::siesta_distrib_csc_struct_type
nequatom : molsym::molsym_type
nequip_data : fist_nonbond_env_types::fist_nonbond_env_type
nequip_file_name : pair_potential_types::nequip_pot_type
nequip_version : pair_potential_types::allegro_pot_type, pair_potential_types::nequip_pot_type
neumann_directions : ps_implicit_types::ps_implicit_parameters
new_block_tas_blk_size_arb() : dbt_tas_global::dbt_tas_blk_size_arb
new_block_tas_blk_size_one() : dbt_tas_global::dbt_tas_blk_size_one
new_block_tas_blk_size_repl() : dbt_tas_global::dbt_tas_blk_size_repl
new_block_tas_dist_arb() : dbt_tas_global::dbt_tas_dist_arb
new_block_tas_dist_cyclic() : dbt_tas_global::dbt_tas_dist_cyclic
new_block_tas_dist_repl() : dbt_tas_global::dbt_tas_dist_repl
new_preconditioner : qs_p_env_types::qs_p_env_type
newton_schulz_order : rt_propagation_types::rt_prop_type
newton_step : embed_types::opt_embed_pot_type, qs_cdft_opt_types::cdft_opt_type
newton_step_save : qs_cdft_opt_types::cdft_opt_type
nex_atoms : xas_tdp_types::xas_tdp_env_type
nex_kinds : xas_tdp_types::xas_tdp_env_type
nexc_atoms : xas_control::xas_control_type, xas_env_types::xas_environment_type
nexc_search : xas_control::xas_control_type, xas_env_types::xas_environment_type
nexc_states : xas_env_types::xas_environment_type
nexp : lri_optimize_ri_basis_types::lri_opt_type, optimize_basis_types::subset_type
nexp_lpot : atom_types::atom_gthpot_type, external_potential_types::gth_potential_type
nexp_lsd : atom_types::atom_gthpot_type, external_potential_types::gth_potential_type
nexp_nlcc : atom_types::atom_gthpot_type, external_potential_types::gth_potential_type
nexp_ppl : external_potential_types::gth_potential_type
next : admm_dm_types::mcweeny_history_type, dbm_memchunk, parallel_rng_types::rng_stream_type, qs_neighbor_list_types::neighbor_list_task_type, tmc_tree_types::elem_list_type, tmc_tree_types::gt_elem_list_type
next_block : dbm_iterator_t
next_elem_nr : tmc_tree_types::tree_type
next_int() : parallel_rng_types::rng_stream_type
next_real() : parallel_rng_types::rng_stream_type
next_shard : dbm_iterator_t
nextra : qs_loc_types::localized_wfn_control_type
nf : pint_types::qtb_therm_type, powell::opt_state_type
nfa : lri_environment_types::lri_int_type, lri_environment_types::lri_rhoab_type
nfb : lri_environment_types::lri_int_type, lri_environment_types::lri_rhoab_type
nfft : fft_tools::fft_scratch_type
nfixd : molecule_kind_types::molecule_kind_type
nfixd_restraint : molecule_kind_types::molecule_kind_type
nfixed_atoms : topology_types::constraint_info_type
nfm : powell::opt_state_type
nfmm : powell::opt_state_type
nfrags : mscfg_types::molecular_scf_guess_env_type
nfree : gopt_f_types::gopt_f_type, md_ener_types::md_ener_type, simpar_types::simpar_type
nfree_kind : md_ener_types::md_ener_type
nfree_rot_transl : simpar_types::simpar_type
nfree_shell : md_ener_types::md_ener_type
nfree_shell_kind : md_ener_types::md_ener_type
nfsav : powell::opt_state_type
nftest : powell::opt_state_type
nfull_local : dbt_types::dbt_type
nfullcols : dbt_tas_types::dbt_tas_type
nfullrowcol : dbt_tas_global::dbt_tas_rowcol_data
nfullrows : dbt_tas_types::dbt_tas_type
ng3x3 : molecule_kind_types::molecule_kind_type, molecule_types::global_constraint_type
ng3x3_restraint : molecule_kind_types::molecule_kind_type, molecule_types::global_constraint_type
ng4x6 : molecule_kind_types::molecule_kind_type, molecule_types::global_constraint_type
ng4x6_restraint : molecule_kind_types::molecule_kind_type, molecule_types::global_constraint_type
ng_sphere : qs_grid_atom::grid_atom_type
ngau : external_potential_types::local_potential_type
ngauss : semi_empirical_types::semi_empirical_type, xas_control::xas_control_type
ngpts : pw_grid_types::pw_grid_type, realspace_grid_types::realspace_grid_desc_type
ngpts_cut : pw_grid_types::pw_grid_type
ngpts_cut_local : pw_grid_types::pw_grid_type
ngpts_local : pw_grid_types::pw_grid_type, realspace_grid_types::realspace_grid_type
ngrd : qs_dftb_types::qs_dftb_pairpot_type
ngrdcut : qs_dftb_types::qs_dftb_pairpot_type
ngrid : qs_harmonics_atom::harmonics_atom_type
ngrid_ang : qs_kind_types::qs_kind_type
ngrid_levels : gaussian_gridlevels::gridlevel_info_type
ngrid_rad : qs_kind_types::qs_kind_type
ngroup : dbt_tas_types::dbt_tas_split_info, molsym::molsym_type, rpa_exchange::rpa_exchange_work_type
ngroup_opt : dbt_tas_types::dbt_tas_split_info
ngroup_wish : farming_types::farming_env_type
ngroup_wish_set : farming_types::farming_env_type
ngroups : embed_types::embed_env_type, mixed_environment_types::mixed_environment_type, negf_subgroup_types::negf_subgroup_env_type, qs_tddfpt2_subgroups::tddfpt_subgroup_env_type
ngrp_kind : fist_neighbor_list_types::neighbor_kind_pairs_type
nguess : qs_loc_types::localized_wfn_control_type
ngyration : colvar_types::colvar_counters
nh : powell::opt_state_type
nhc : thermostat_types::thermostat_type
nhc_len : extended_system_types::lnhc_parameters_type
nhydronium_dist : colvar_types::colvar_counters
nhydronium_shell : colvar_types::colvar_counters
nico : molsym::molsym_type
nijpairs : qs_o3c_types::o3c_container_type
nimages : cp_control_types::dft_control_type, hfx_types::hfx_pgf_list
nimages_3c : post_scf_bandstructure_types::post_scf_bandstructure_type
nimages_delta_r : post_scf_bandstructure_types::post_scf_bandstructure_type
nimages_scf : post_scf_bandstructure_types::post_scf_bandstructure_type
nimages_scf_desymm : post_scf_bandstructure_types::post_scf_bandstructure_type
nimg : hfx_types::hfx_ri_type
nimg_nze : hfx_types::hfx_ri_type
nimpr : molecule_kind_types::molecule_kind_type
niter_new_prec : qs_block_davidson_types::davidson_type
niters : cp_control_types::tddfpt2_control_type
njobs : farming_types::farming_env_type
nkind : lri_environment_types::lri_list_type, optimize_basis_types::basis_optimization_type, qs_neighbor_list_types::neighbor_list_task_type, scf_control_types::scf_control_type
nkinds : grid_context_, grid_cpu_task_list, grid_ref_task_list, rocm_backend::context_info
nkinds_total : grid_context_
nkp : kpoint_types::kpoint_type
nkp_bs_and_dos : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_chi_eps_w_batch : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_chi_eps_w_extra : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_chi_eps_w_orig : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_chi_eps_w_orig_plus_extra : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_grid : kpoint_types::kpoint_type
nkp_grid_chi_eps_w_extra : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_grid_chi_eps_w_input : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_grid_chi_eps_w_orig : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_grid_dos_input : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_groups : kpoint_types::kpoint_type
nkp_only_bs : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_only_dos : post_scf_bandstructure_types::post_scf_bandstructure_type
nkp_scf_desymm : post_scf_bandstructure_types::post_scf_bandstructure_type
nkpoint : cryssym::csym_type, kpoint_types::kpoint_env_type
nkrylov : qs_scf_types::krylov_space_type
nkvs : cp_control_types::tddfpt2_control_type
nl : atom_types::atom_gthpot_type, hfx_types::hfx_basis_type, optimize_basis_types::subset_type
nl_2c_met : rpa_im_time_force_types::im_time_force_type
nl_2c_ovlp : rpa_im_time_force_types::im_time_force_type
nl_2c_pot : rpa_im_time_force_types::im_time_force_type
nl_3c : post_scf_bandstructure_types::post_scf_bandstructure_type, rpa_im_time_force_types::im_time_force_type
nl_end : qs_neighbor_list_types::neighbor_list_set_p_type
nl_gauge_transform : cp_control_types::rtp_control_type
nl_repl : smeagol_matrix_utils::siesta_distrib_csc_struct_type
nl_size : qs_neighbor_list_types::neighbor_list_set_p_type
nl_start : qs_neighbor_list_types::neighbor_list_set_p_type
nl_sub_iterate() : qs_neighbor_list_types::nl_sub_iterate
nl_sub_iterate_ref() : qs_neighbor_list_types::nl_sub_iterate
nl_type : qs_dispersion_types::qs_dispersion_type
nlcc : atom_types::atom_gthpot_type, external_potential_types::gth_potential_type
nlcc_pot : qs_kind_types::qs_kind_type
nlevels : grid_context_, grid_cpu_task_list, grid_ref_task_list, grid_task_list, rocm_backend::context_info
nlevels_total : grid_context_
nlin : molsym::molsym_type
nlist : qs_dispersion_cnum::dcnum_type, qs_neighbor_list_types::neighbor_list_set_type, qs_neighbor_list_types::neighbor_list_task_type
nlist_task : qs_neighbor_list_types::neighbor_list_set_p_type
nlists : fist_neighbor_list_types::fist_neighbor_type
nloc : atom_types::atom_ecppot_type, external_potential_types::sgp_potential_type
nloc_states : qs_loc_types::localized_wfn_control_type
nlocal_recv : cp_cfm_types::copy_cfm_info_type, cp_fm_types::copy_info_type
nlocals : dbm_dist_1d_t
nlumo : cp_control_types::tddfpt2_control_type
nmatrix : helium_types::helium_solvent_type
nmax : fft_tools::fft_scratch_sizes
nmc_inp_file : tmc_types::tmc_param_type
nmc_move_types : tmc_types::tmc_param_type
nmixing : dm_ls_scf_types::ls_scf_env_type, scf_control_types::scf_control_type
nmo : admm_types::admm_type, qs_linres_types::dcdr_env_type, qs_mo_types::mo_set_type
nmo_active : qs_active_space_types::active_space_type
nmo_conv : qs_scf_types::krylov_space_type
nmo_inactive : qs_active_space_types::active_space_type
nmo_nc : qs_scf_types::krylov_space_type
nmol : topology_types::topology_parameters_type
nmol_conn : topology_types::topology_parameters_type
nmol_type : topology_types::topology_parameters_type
nmol_types : mc_types::mc_molecule_info_type
nmolecule : molecule_kind_types::molecule_kind_type
nmolecules : almo_scf_types::almo_scf_env_type
nmosets_of_frag : mscfg_types::molecular_scf_guess_env_type
nmoves : mc_types::mc_simpar_type
nmray : fft_tools::fft_scratch_sizes
nmrowcol : dbt_tas_global::dbt_tas_distribution, dbt_tas_global::dbt_tas_rowcol_data
nmrowcol_local : dbt_tas_global::dbt_tas_blk_size_repl, dbt_tas_global::dbt_tas_dist_repl
nmul : force_field_kind_types::torsion_kind_type
nn : pao_types::training_matrix_type
nne : atom_types::atom_integrals
nnode : qs_neighbor_list_types::neighbor_list_task_type
nnodes : domain_submatrix_types::domain_submatrix_type
nnodes_per_proc : smeagol_matrix_utils::siesta_distrib_csc_struct_type
nnos : pint_types::pint_env_type
nnp : helium_types::helium_solvent_type
nnp_env : force_env_types::force_env_type
nnp_forces : nnp_environment_types::nnp_type
nnp_input : nnp_environment_types::nnp_type
nnp_potential_energy : nnp_environment_types::nnp_type
nnp_sr_cut : helium_types::helium_solvent_type
no_mb : pair_potential_types::pair_potential_single_type
no_optimize : qs_kind_types::qs_kind_type
no_pp : pair_potential_types::pair_potential_single_type
nocc_of_domain : almo_scf_types::almo_scf_env_type
nodes : cp_min_heap::cp_heap_type
noisy_gamma : simpar_types::simpar_type
noisy_gamma_region : thermal_region_types::thermal_region_type
non_monotonic : dm_ls_scf_types::ls_scf_env_type
non_paw_atoms : cp_control_types::gapw_control_type
non_selfconsistent : scf_control_types::scf_control_type
nonbond_a : force_field_types::amber_info_type, force_field_types::charmm_info_type, force_field_types::gromos_info_type
nonbond_a_14 : force_field_types::charmm_info_type, force_field_types::gromos_info_type
nonbond_c12 : force_field_types::gromos_info_type
nonbond_c12_14 : force_field_types::gromos_info_type
nonbond_c6 : force_field_types::gromos_info_type
nonbond_c6_14 : force_field_types::gromos_info_type
nonbond_eps : force_field_types::amber_info_type, force_field_types::charmm_info_type
nonbond_eps_14 : force_field_types::charmm_info_type
nonbond_rmin2 : force_field_types::amber_info_type, force_field_types::charmm_info_type
nonbond_rmin2_14 : force_field_types::charmm_info_type
nonbonded : cp_control_types::xtb_control_type, fist_nonbond_env_types::fist_nonbond_env_type, force_field_types::input_info_type
nonbonded14 : force_field_types::input_info_type
nondiag_energy_strength : qs_ot_types::qs_ot_settings_type
nonortho_coupling : mixed_cdft_types::mixed_cdft_type
nonscf_correction : qs_energy_types::qs_energy_type
nopaw_as_gpw : cp_control_types::gapw_control_type
nopbend : molecule_kind_types::molecule_kind_type
nopt : optimize_basis_types::flex_basis_type
norb : qs_active_space_types::eri_type
norm : dbm_pack_block_t
norm_cgf : basis_set_types::gto_basis_set_type
norm_drho : xc_rho_cflags_types::xc_rho_cflags_type, xc_rho_set_types::xc_rho_set_type
norm_drho_spin : xc_rho_cflags_types::xc_rho_cflags_type
norm_drhoa : xc_rho_set_types::xc_rho_set_type
norm_drhob : xc_rho_set_types::xc_rho_set_type
norm_g : pao_types::pao_env_type
norm_g0l_h : qs_rho0_types::rho0_mpole_type
norm_res_buffer : qs_density_mixing_types::mixing_storage_type
norm_type : basis_set_types::gto_basis_set_type
norm_xpy : bse_properties::exciton_descr_type
normalize : pw_spline_utils::pw_spline_precond_type
normalmode_env : pint_types::pint_env_type
normnodes : nnp_environment_types::nnp_type
not_last_hfx : mp2_types::mp2_type
np : powell::opt_state_type, qs_grid_atom::atom_integration_grid_type
npairs : fist_neighbor_list_types::neighbor_kind_pairs_type, task_list_types::task_list_type
nparam_pade : post_scf_bandstructure_types::post_scf_bandstructure_type
nparams : pao_io::pao_iokind_type
npart : thermal_region_types::thermal_region_type
nparticle : replica_types::replica_env_type, space_groups_types::spgr_type
nparticle_sym : space_groups_types::spgr_type
npgf : basis_set_types::gto_basis_set_type, grid_basis_set, hfx_types::hfx_basis_type
nplane_angle : colvar_types::colvar_counters
nplane_dist : colvar_types::colvar_counters
npoints : force_field_types::force_field_type, pair_potential_types::eam_pot_type, pair_potential_types::tab_pot_type
npol : external_potential_types::local_potential_type
npopulation : colvar_types::colvar_counters
npot : atom_types::atom_ecppot_type, external_potential_types::sgp_potential_type
nppnl : external_potential_types::gth_potential_type, external_potential_types::sgp_potential_type
nprim : atom_types::atom_basis_type
nprj : paw_proj_set_types::paw_proj_set_type
nprj_ppnl : external_potential_types::gth_potential_type
nprj_ppnl_max : external_potential_types::gth_potential_type
nproc : dbt_types::dbt_pgrid_type
nprocs : cp_control_types::tddfpt2_control_type, negf_control_types::negf_control_type
nprowcol : dbt_tas_global::dbt_tas_distribution
npt : barostat_types::barostat_type
nptm : powell::opt_state_type
npts : mixed_cdft_types::mixed_cdft_settings_type, pw_grid_types::pw_grid_type, qmmm_types_low::qmmm_pot_type, realspace_grid_types::realspace_grid_desc_type
npts_global : _layout, grid_cpu_layout, grid_ref_layout
npts_local : _layout, grid_cpu_layout, grid_ref_layout, grid_task_list, pw_grid_types::pw_grid_type, realspace_grid_types::realspace_grid_type
nq : basis_set_types::sto_basis_set_type
nqparm : colvar_types::colvar_counters
nqs : qs_dispersion_types::qs_dispersion_type
nr : qs_grid_atom::atom_integration_grid_type, qs_grid_atom::grid_atom_type, radial_type1_grid_t, radial_type2_grid_t, semi_empirical_types::semi_empirical_type, tmc_tree_types::elem_list_type, tmc_tree_types::global_tree_type, tmc_tree_types::tree_type
nr_bins : tmc_analysis_types::pair_correl_type
nr_dim : tmc_analysis_types::tmc_analysis_env
nr_elem_mv : tmc_types::tmc_param_type
nr_gh : atom_types::atom_hfx_type
nr_he_image : neb_types::neb_type
nr_points : free_energy_types::free_energy_type, qs_dispersion_types::qs_dispersion_type
nr_rejected : free_energy_types::free_energy_type
nr_temp : tmc_types::tmc_param_type
nranks : dbm_dist_1d_t, dbm_distribution_t
nreactionpath : colvar_types::colvar_counters
nregions : thermal_region_types::thermal_regions_type
nrep : replica_types::replica_env_type
nreplica : graph_utils::mep_input_data_type
nrespa : pint_types::pint_env_type
nrestart : arnoldi_types::arnoldi_control_type
nrestraint : colvar_types::colvar_counters, molecule_types::global_constraint_type
nreused : qs_cdft_types::cdft_control_type
nrloc : atom_types::atom_ecppot_type, external_potential_types::sgp_potential_type
nrot : colvar_types::colvar_counters
nrow_block : cp_fm_struct::cp_fm_struct_type
nrow_global : cp_fm_struct::cp_fm_struct_type
nrow_locals : cp_fm_struct::cp_fm_struct_type
nrows : dbm_matrix_t, domain_submatrix_types::domain_submatrix_type, smeagol_matrix_utils::siesta_distrib_csc_struct_type
nrows_local : cp2k_csr_interop_type, transport_env_types::cp2k_csr_interop_type
nrows_total : cp2k_csr_interop_type, transport_env_types::cp2k_csr_interop_type
nrpot : atom_types::atom_ecppot_type, external_potential_types::sgp_potential_type
nrtot : cryssym::csym_type
ns : atom_types::atom_basis_type
ns_max : ewald_environment_types::ewald_environment_type
nsatbas : paw_proj_set_types::paw_proj_set_type
nscale : fist_neighbor_list_types::neighbor_kind_pairs_type
nsec : molsym::molsym_type
nseg : pint_types::staging_env_type
nsend_packs : dbm_packed_matrix_t
nses : molsym::molsym_type
nset : basis_set_types::gto_basis_set_type, grid_basis_set, hfx_types::hfx_basis_type
nsets : optimize_basis_types::derived_basis_info, optimize_basis_types::flex_basis_type
nsgauprj : paw_proj_set_types::paw_proj_set_type
nsgf : basis_set_types::gto_basis_set_type, cp2k_transport_parameters, grid_basis_set, hfx_types::hfx_basis_type, molecule_kind_types::molecule_kind_type, transport_env_types::cp2k_transport_parameters, transport_env_types::transport_env_type
nsgf_cnt : sap_kind_types::clist_type
nsgf_set : basis_set_types::gto_basis_set_type, grid_basis_set
nsgf_seta : rocm_backend::smem_task< T >, rocm_backend::task_info
nsgf_setb : rocm_backend::smem_task< T >, rocm_backend::task_info
nsgf_total : hfx_types::hfx_basis_type
nsgfa : rocm_backend::smem_task< T >, rocm_backend::task_info
nsgfb : rocm_backend::smem_task< T >, rocm_backend::task_info
nsgfl : hfx_types::hfx_basis_type
nshards : dbm_dist_1d_t
nshell : basis_set_types::gto_basis_set_type, basis_set_types::sto_basis_set_type, hfx_types::hfx_basis_type, molecule_kind_types::molecule_kind_type, xtb_types::xtb_atom_type
nsig : molsym::molsym_type
nsize_int : neb_types::neb_type
nsize_xyz : neb_types::neb_type
nskip_mixing : qs_density_mixing_types::mixing_storage_type, qs_scf_types::qs_scf_env_type
nsmax : realspace_grid_types::realspace_grid_input_type
nsn : lri_environment_types::lri_int_type, molsym::molsym_type
nsna : lri_environment_types::lri_int_type
nsnb : lri_environment_types::lri_int_type
nso_proc : xas_tdp_types::batch_info_type
nsotot : paw_proj_set_types::paw_proj_set_type
nsp1 : pint_types::piglet_therm_type
nspin : lri_environment_types::lri_density_type, pexsi_types::lib_pexsi_env, qs_harris_types::harris_rhoin_type, qs_o3c_types::o3c_container_type
nspins : almo_scf_types::almo_scf_env_type, cp_control_types::dft_control_type, dm_ls_scf_types::ls_scf_env_type, kg_environment_types::kg_environment_type, qs_active_space_types::active_space_type, qs_linres_types::dcdr_env_type, qs_tddfpt2_soc_types::soc_atom_env_type, xas_tdp_types::xas_atom_env_type
nsplit_avg : dbt_types::dbt_contraction_storage
nst : lri_environment_types::lri_rhoab_type
nsta : lri_environment_types::lri_rhoab_type
nstart : mc_types::mc_simpar_type
nstates : cp_control_types::tddfpt2_control_type, molecule_types::local_states_type, qs_linres_types::current_env_type, qs_linres_types::dcdr_env_type
nstb : lri_environment_types::lri_rhoab_type
nstep : mc_types::mc_simpar_type
nsteps : rt_propagation_types::rt_prop_type, simpar_types::simpar_type
nsteps_it : neb_types::neb_type
nstore : almo_scf_lbfgs_types::lbfgs_history_type, almo_scf_types::almo_scf_history_type
nsubsets : kg_environment_types::kg_environment_type
nswapmoves : mc_types::mc_simpar_type
nt_hills : metadynamics_types::hills_env_type
ntasks : grid_context_, grid_cpu_task_list, grid_ref_task_list, rocm_backend::context_info, rocm_backend::kernel_params, task_list_types::task_list_type
ntasks_total : grid_context_
ntet : molsym::molsym_type
nticks : dbm_comm_iterator_t
ntorsion : colvar_types::colvar_counters, molecule_kind_types::molecule_kind_type
ntot : colvar_types::colvar_counters, molecule_types::global_constraint_type, qs_grid_atom::atom_integration_grid_type
ntraining_sets : optimize_basis_types::basis_optimization_type
nub : molecule_kind_types::molecule_kind_type
nuc_atoms : nnp_environment_types::nnp_type
nuc_ele : nnp_environment_types::nnp_acsf_rad_type, nnp_environment_types::nnp_type
nuc_ele1 : nnp_environment_types::nnp_acsf_ang_type
nuc_ele2 : nnp_environment_types::nnp_acsf_ang_type
num_accepted : helium_types::helium_solvent_type
num_atoms : nnp_environment_types::nnp_type
num_chi_eps_w_batches : post_scf_bandstructure_types::post_scf_bandstructure_type
num_contacts : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
num_dgemm_call : dgemm_counter_types::dgemm_counter_type
num_disp_atom : reftraj_types::reftraj_msd_type
num_env : helium_types::helium_solvent_type
num_freq_points_fit : post_scf_bandstructure_types::post_scf_bandstructure_type
num_grad_eps : pao_types::pao_env_type
num_grad_order : pao_types::pao_env_type
num_image_mm_atoms : qmmm_types_low::qmmm_env_qm_type
num_interval : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
num_mm_atoms : qmmm_types_low::add_set_type, qmmm_types_low::add_shell_type, qmmm_types_low::qmmm_env_qm_type
num_neighbors : pao_types::pao_model_type
num_pe : cp_blacs_types::cp_blacs_type, hfx_types::hfx_ri_type, message_passing::mp_comm_type
num_pe_cart : message_passing::mp_cart_type
num_pe_max_nz_col : cp_fm_diag_utils::cp_fm_redistribute_info
num_pe_new : cp_fm_diag_utils::cp_fm_redistribute_info
num_pe_old : cp_fm_diag_utils::cp_fm_redistribute_info
num_pe_opt : cp_fm_diag_utils::cp_fm_redistribute_info
num_points_per_magnitude : post_scf_bandstructure_types::post_scf_bandstructure_type
num_pole : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
num_primitives : libgrpp_potential_t, libgrpp_shell_t
num_qm_atoms : qmmm_types_low::qmmm_env_qm_type
num_ranks_per_pole : pexsi_types::lib_pexsi_env
num_scan_points : tip_scan_types::scanning_type
num_steps : helium_types::helium_solvent_type, pint_types::pint_env_type
num_tasks_per_block_dev : rocm_backend::kernel_params
num_tasks_per_block_dev_ : rocm_backend::context_info
num_tensor_groups : post_scf_bandstructure_types::post_scf_bandstructure_type
num_time_freq_points : post_scf_bandstructure_types::post_scf_bandstructure_type
num_update : fist_nonbond_env_types::fist_nonbond_env_type
num_variables : cp_parser_inpp_types::inpp_type
number_of_atom_quartets : hfx_types::hfx_distribution
number_of_devices : collocation_integration_, grid_context_
number_of_gaussian : collocation_integration_
number_of_gaussians : qmmm_gaussian_types::qmmm_gaussian_type
number_of_handler : grid_context_
number_of_p_entries : hfx_types::hfx_type
number_of_proj : atom_upf::atom_upfpot_type
number_of_replica : neb_types::neb_type
number_of_submatrices : submatrix_dissection::submatrix_dissection_type
number_of_tasks_per_level_ : rocm_backend::context_info
number_of_thermostats : thermostat_types::thermostat_info_type
number_of_wfc : atom_upf::atom_upfpot_type
numnodes : submatrix_dissection::submatrix_dissection_type
numtask : fft_tools::fft_scratch_sizes
nunits : mc_types::mc_molecule_info_type
nunits_empty : mc_types::mc_input_file_type
nunits_tot : mc_types::mc_molecule_info_type
nval : xtb_types::xtb_atom_type
nval_out : arnoldi_types::arnoldi_control_type
nval_req : arnoldi_types::arnoldi_control_type
nvar : powell::opt_state_type
nvec : dimer_types::dimer_env_type
nvirial : mc_types::mc_simpar_type
nvirt_disc_of_domain : almo_scf_types::almo_scf_env_type
nvirt_full_of_domain : almo_scf_types::almo_scf_env_type
nvirt_of_domain : almo_scf_types::almo_scf_env_type
nvirtual : xas_env_types::xas_environment_type
nvirtual2 : xas_env_types::xas_environment_type
nvsite : molecule_kind_types::molecule_kind_type, molecule_types::global_constraint_type
nvsite_restraint : molecule_kind_types::molecule_kind_type, molecule_types::global_constraint_type
nvt : al_system_types::al_system_type, csvr_system_types::csvr_system_type, extended_system_types::lnhc_parameters_type, gle_system_types::gle_type
nwght : kpoint_types::kpoint_sym_type
nwred : kpoint_types::kpoint_sym_type
nx : fft_tools::fft_scratch_sizes
nxyz_diag : colvar_types::colvar_counters
nxyz_outerdiag : colvar_types::colvar_counters
ny : fft_tools::fft_scratch_sizes
nyosh : extended_system_types::lnhc_parameters_type
nyzray : fft_tools::fft_scratch_sizes
nz : fft_tools::fft_scratch_sizes
nze_local : cp2k_csr_interop_type, transport_env_types::cp2k_csr_interop_type
nze_total : cp2k_csr_interop_type, transport_env_types::cp2k_csr_interop_type
nzerow_local : cp2k_csr_interop_type, transport_env_types::cp2k_csr_interop_type
nzvals_local : cp2k_csr_interop_type, transport_env_types::cp2k_csr_interop_type