Here is a list of all variables with links to the structures/unions they belong to:

- i -

i1 : fp_types::fp_type
i2 : fp_types::fp_type
i_ao_end_from_atom : post_scf_bandstructure_types::post_scf_bandstructure_type
i_ao_start_from_atom : post_scf_bandstructure_types::post_scf_bandstructure_type
i_atom : colvar_types::colvar_type
i_atom_intervals : post_scf_bandstructure_types::post_scf_bandstructure_type
i_atoms : molecule_kind_types::colvar_constraint_type
i_iter : embed_types::opt_dmfet_pot_type, embed_types::opt_embed_pot_type
i_iteration : glbopt_master::glbopt_master_type, swarm_master::swarm_master_type
i_ri_end_from_atom : post_scf_bandstructure_types::post_scf_bandstructure_type
i_ri_start_from_atom : post_scf_bandstructure_types::post_scf_bandstructure_type
i_start : rt_propagation_types::rt_prop_type
i_val : input_val_types::val_type
i_vals : input_enumeration_types::enumeration_type
i_work_array : cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type
iao_cubes_section : iao_types::iao_env_type
iao_molden_section : iao_types::iao_env_type
iaorb : smeagol_matrix_utils::siesta_distrib_csc_struct_type
iap : helium_types::int_arr_ptr
iatom : _task, grid_cpu_task, grid_ref_task, negf_atom_map::negf_atom_map_type, qs_neighbor_list_types::neighbor_list_task_type, rocm_backend::task_info, task_list_types::task_type
iatom_list : hfx_types::hfx_2d_map
iatom_to_subgroup : hfx_types::hfx_ri_type
ibackup : input_section_types::section_vals_type
ibatch : dbt_types::dbt_contraction_storage, xas_tdp_types::batch_info_type
ibo_cc_section : iao_types::iao_env_type
ibo_cubes_section : iao_types::iao_env_type
ibo_molden_section : iao_types::iao_env_type
ibrot : cryssym::csym_type, kpoint_types::kpoint_type
icol : cp_parser_types::cp_parser_type
icol1 : cp_parser_types::cp_parser_type
icol2 : cp_parser_types::cp_parser_type
icolvar : free_energy_types::ui_var_type, metadynamics_types::metavar_type
id_atmname : topology_types::atom_info_type
id_atom_names : topology_types::atom_info_type
id_cell : tmc_analysis_types::tmc_analysis_env
id_dip : tmc_analysis_types::tmc_analysis_env
id_element : topology_types::atom_info_type
id_ener : tmc_analysis_types::tmc_analysis_env
id_frc : tmc_analysis_types::tmc_analysis_env
id_kind : fist_neighbor_list_types::neighbor_kind_pairs_type
id_molname : topology_types::atom_info_type
id_name : molecule_kind_types::atom_type
id_nr : f77_interface::f_env_type, pw_grid_types::pw_grid_type, replica_types::replica_env_type
id_resname : topology_types::atom_info_type
id_traj : tmc_analysis_types::tmc_analysis_env
id_type : force_field_kind_types::bend_kind_type, force_field_kind_types::bond_kind_type, force_field_kind_types::impr_kind_type, force_field_kind_types::opbend_kind_type, force_field_kind_types::torsion_kind_type, force_field_kind_types::ub_kind_type, molecule_kind_types::bend_type, molecule_kind_types::bond_type, molecule_kind_types::impr_type, molecule_kind_types::opbend_type, molecule_kind_types::torsion_type, molecule_kind_types::ub_type, neb_types::neb_type
idbg : post_scf_bandstructure_types::band_edges_type
identical_constraints : mixed_cdft_types::mixed_cdft_type
idum : global_types::global_environment_type
idx_1dto3d : ps_implicit_types::ps_implicit_type
idx_to_at_ao : rpa_im_time_force_types::im_time_force_type
idx_to_at_ri : rpa_im_time_force_types::im_time_force_type
idx_to_img : hfx_types::hfx_ri_type
idz : powell::opt_state_type
iend : cp_parser_ilist_types::ilist_type, hfx_types::hfx_block_range_type
ienergy : qs_cdft_types::cdft_control_type
ies : qs_energy_types::qs_energy_type
ifixd_index : molecule_kind_types::local_fixd_constraint_type
ig : parallel_rng_types::rng_stream_type
ig_global_index : qs_density_mixing_types::mixing_storage_type
ig_max : qs_density_mixing_types::mixing_storage_type
ignore_convergence_failure : pwdft_environment_types::pwdft_environment_type, scf_control_types::scf_control_type
ignore_last_iteration : swarm_master::swarm_master_type
ignore_missing_critical : force_field_types::force_field_type
igrid_zet0_s : qs_rho0_types::rho0_mpole_type
igroup : dbt_tas_types::dbt_tas_split_info, molsym::molsym_type
ihistory : preconditioner_types::preconditioner_type
ij_kind : fist_neighbor_list_types::neighbor_kind_pairs_type
ij_kind_full_fac : fist_nonbond_env_types::fist_nonbond_env_type
ij_list : qs_tensors_types::neighbor_list_3c_type
ijacobian : qs_cdft_opt_types::cdft_opt_type
ijk_nl : qs_tensors_types::neighbor_list_3c_iterator_type
ijp_last : qs_o3c_types::o3c_iterator_type
ijp_thread : qs_o3c_types::o3c_iterator_type
ijpair : qs_o3c_types::o3c_container_type
ikind : molecule_kind_types::local_fixd_constraint_type, qs_neighbor_list_types::neighbor_list_task_type, rocm_backend::task_info
ilist : cp_parser_types::cp_parser_type, qs_neighbor_list_types::neighbor_list_task_type
imag_freq_points : post_scf_bandstructure_types::post_scf_bandstructure_type
imag_freq_points_fit : post_scf_bandstructure_types::post_scf_bandstructure_type
imag_time_points : post_scf_bandstructure_types::post_scf_bandstructure_type
imag_time_weights_freq_zero : post_scf_bandstructure_types::post_scf_bandstructure_type
image : task_list_types::atom_pair_type, task_list_types::task_type
image_charge : qmmm_types_low::qmmm_env_qm_type, qs_energy_types::qs_energy_type
image_charge_pot : qmmm_types_low::qmmm_env_qm_type
image_coeff : qs_environment_types::qs_environment_type
image_list : hfx_types::hfx_pgf_list
image_matrix : qs_environment_types::qs_environment_type
imagp_matrix : transport_env_types::transport_env_type
imass1 : molecule_types::local_g3x3_constraint_type, molecule_types::local_g4x6_constraint_type
imass2 : molecule_types::local_g3x3_constraint_type, molecule_types::local_g4x6_constraint_type
imass3 : molecule_types::local_g3x3_constraint_type, molecule_types::local_g4x6_constraint_type
imass4 : molecule_types::local_g4x6_constraint_type
img_to_idx : hfx_types::hfx_ri_type
img_to_ri_cell : hfx_types::hfx_ri_type
imomm : qmmm_types_low::qmmm_links_type
implicit_env : pw_poisson_types::pw_poisson_type
impr_a : force_field_types::charmm_info_type, force_field_types::input_info_type, topology_types::connectivity_info_type
impr_b : force_field_types::charmm_info_type, force_field_types::input_info_type, topology_types::connectivity_info_type
impr_c : force_field_types::charmm_info_type, force_field_types::input_info_type, topology_types::connectivity_info_type
impr_d : force_field_types::charmm_info_type, force_field_types::input_info_type, topology_types::connectivity_info_type
impr_k : force_field_types::charmm_info_type, force_field_types::gromos_info_type, force_field_types::input_info_type
impr_kind : force_field_types::input_info_type, molecule_kind_types::impr_type
impr_kind_set : molecule_kind_types::molecule_kind_type
impr_list : molecule_kind_types::molecule_kind_type
impr_phi0 : force_field_types::charmm_info_type, force_field_types::gromos_info_type, force_field_types::input_info_type
impr_type : topology_types::connectivity_info_type
in : fft_tools::fft_scratch_type
in_box : mc_types::mc_molecule_info_type
in_memory : qs_cdft_types::becke_constraint_type, qs_cdft_types::cdft_control_type
in_point : almo_scf_diis_types::almo_scf_diis_type
in_use : cp_parser_ilist_types::ilist_type, cp_parser_status_types::status_type, fft_tools::fft_scratch_type, force_env_types::force_env_type, mc_types::mc_input_file_type, neb_types::neb_var_type, preconditioner_types::preconditioner_type
in_use_set : optimize_basis_types::derived_basis_info
inactive_orbitals : qs_active_space_types::active_space_type
incl_energy_accu : timings_base_type::call_stat_type, timings_base_type::routine_stat_type
incl_walltime_accu : timings_base_type::call_stat_type, timings_base_type::routine_stat_type
ind : hfx_types::block_ind_type
ind_ang1 : nnp_environment_types::nnp_neighbor_type
ind_ang2 : nnp_environment_types::nnp_neighbor_type
ind_rad : nnp_environment_types::nnp_neighbor_type
index : cp_min_heap::cp_heap_type, extended_system_types::map_info_type, pair_potential_types::tab_pot_type
index1 : domain_submatrix_types::domain_map_type
index2coord : dbm_dist_1d_t
index_descriptor : message_passing::mp_file_descriptor_type, message_passing::mp_type_descriptor_type
index_table : mp2_types::mp2_biel_type
index_to_cell : kpoint_types::kpoint_type
index_to_cell_3c : post_scf_bandstructure_types::post_scf_bandstructure_type
index_to_cell_delta_r : post_scf_bandstructure_types::post_scf_bandstructure_type
indi : semi_empirical_mpole_types::semi_empirical_mpole_type
indj : semi_empirical_mpole_types::semi_empirical_mpole_type
indx : mp2_types::integ_mat_buffer_type
indxuo : smeagol_matrix_utils::siesta_distrib_csc_struct_type
influence_fn : pw_poisson_types::greens_fn_type
info : atom_upf::atom_upfpot_type, dbt_tas_types::dbt_tas_distribution_type, reftraj_types::reftraj_type
info_constraint : simpar_types::simpar_type
init : molecule_types::local_colvar_constraint_type, molecule_types::local_g3x3_constraint_type, molecule_types::local_g4x6_constraint_type, reftraj_types::reftraj_type
init_args : pair_potential_types::quip_pot_type
init_step_size : linesearch::linesearch_type
initial_ekin : mc_types::mc_ekin_type
initial_guess : ps_implicit_types::ps_implicit_type
initial_lambda : ps_implicit_types::ps_implicit_type
initial_p : hfx_types::hfx_type
initial_p_forces : hfx_types::hfx_type
initial_step : cp_control_types::rtp_control_type
initial_trust_radius : almo_scf_types::optimizer_options_type
initial_variables : cp_parser_types::cp_parser_type
initial_wfn : cp_control_types::rtp_control_type
initialization_method : simpar_types::simpar_type
initialized : submatrix_dissection::submatrix_dissection_type
injection_method : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
inner_atoms : fp_types::fp_type
inner_loop_atom_intervals : post_scf_bandstructure_types::post_scf_bandstructure_type
inner_radius : fp_types::fp_type
inode : qs_neighbor_list_types::neighbor_list_task_type
inp_info : force_field_types::force_field_type, qmmm_types_low::qmmm_env_mm_type
inp_seq_num : molecule_kind_types::colvar_constraint_type
inpp : cp_parser_types::cp_parser_type
inptostd : molsym::molsym_type
input : embed_types::embed_env_type, fist_environment_types::fist_environment_type, helium_types::helium_solvent_type, mixed_environment_types::mixed_environment_type, pint_types::pint_env_type, qs_environment_types::qs_environment_type
input_file : mc_types::mc_simpar_type
input_file_name : cp_parser_types::cp_parser_type
input_flavor : hfx_types::hfx_ri_type
input_kp_bs_n_sp_pts : post_scf_bandstructure_types::post_scf_bandstructure_type
input_kp_bs_npoints : post_scf_bandstructure_types::post_scf_bandstructure_type
input_line : cp_parser_types::cp_parser_type
input_line_number : cp_parser_types::cp_parser_type
input_line_numbers : cp_parser_buffer_types::buffer_type
input_lines : cp_parser_buffer_types::buffer_type
input_memory_per_proc_gb : post_scf_bandstructure_types::post_scf_bandstructure_type
input_regularization_ri : post_scf_bandstructure_types::post_scf_bandstructure_type
input_unit : cp_parser_types::cp_parser_type
input_vec : arnoldi_types::m_x_v_vectors_type
inputs : pao_types::training_matrix_type
int : atom_types::eri, neb_types::neb_var_type
int_3c_array : rt_bse_types::rtbse_env_type
int_diff : embed_types::opt_dmfet_pot_type, embed_types::opt_embed_pot_type
int_diff_square : embed_types::opt_embed_pot_type
int_grid_atom : kg_environment_types::kg_environment_type
int_grid_full : kg_environment_types::kg_environment_type
int_grid_molecules : kg_environment_types::kg_environment_type
int_ldos_xyz : post_scf_bandstructure_types::post_scf_bandstructure_type
int_scr_h : qs_rho_atom_types::rho_atom_type
int_scr_s : qs_rho_atom_types::rho_atom_type
int_test : cp_control_types::maxwell_control_type
intac : qs_oce_types::oce_matrix_type
integer01 : almo_scf_types::almo_scf_env_type
integer02 : almo_scf_types::almo_scf_env_type
integer03 : almo_scf_types::almo_scf_env_type
integer04 : almo_scf_types::almo_scf_env_type
integer05 : almo_scf_types::almo_scf_env_type
integr_max_points : negf_control_types::negf_control_type
integr_method : negf_control_types::negf_control_type
integr_min_points : negf_control_types::negf_control_type
integral : negf_integr_cc::ccquad_type, negf_integr_simpson::simpsonrule_type
integral_abc : negf_integr_simpson::simpsonrule_type
integral_ace : negf_integr_simpson::simpsonrule_type
integral_caches : hfx_types::hfx_compression_type, semi_empirical_store_int_types::semi_empirical_si_type
integral_caches_disk : hfx_types::hfx_compression_type
integral_cde : negf_integr_simpson::simpsonrule_type
integral_containers : hfx_types::hfx_compression_type, semi_empirical_store_int_types::semi_empirical_si_type
integral_containers_disk : hfx_types::hfx_compression_type
integral_conv : negf_integr_simpson::simpsonrule_type
integral_screening : cp_control_types::semi_empirical_control_type, semi_empirical_types::se_int_control_type
integrals : atom_types::atom_type
integrate : collocation_integration_
integrated : qs_cdft_types::cdft_group_type
inter_action : helium_types::helium_solvent_type
inter_rep_rank : replica_types::replica_env_type
interaction_cutoffs : ewald_environment_types::ewald_environment_type
interaction_pot_scan : helium_types::helium_solvent_type
international_symbol : cryssym::csym_type, space_groups_types::spgr_type
interp_section : pw_env_types::pw_env_type
interpolate_issc : qs_linres_types::issc_env_type
interpolate_shift : qs_linres_types::nmr_env_type
interpolation_method_nr : qs_wf_history_types::qs_wf_history_type
interval_id : negf_integr_cc::ccquad_type
intvec : qs_harris_types::harris_rhoin_type
inv_jacobian : outer_scf_control_types::qs_outer_scf_type
inv_ovlp : rpa_im_time_force_types::im_time_force_type
invdt : metadynamics_types::meta_env_type
invdt_history : metadynamics_types::hills_env_type
invers : molsym::molsym_type
inverse_history : preconditioner_types::preconditioner_type
invh : splines_types::spline_data_type
io_stack_channel : cp_parser_inpp_types::inpp_type
io_stack_filename : cp_parser_inpp_types::inpp_type
io_stack_level : cp_parser_inpp_types::inpp_type
io_stack_lineno : cp_parser_inpp_types::inpp_type
io_unit : tmc_analysis_types::tmc_analysis_env
iogrp : kpoint_types::kpoint_type
ionode : mc_types::mc_simpar_type
ip_energy : xas_env_types::xas_environment_type
ipe : xas_tdp_types::batch_info_type
iperm : helium_types::helium_solvent_type
ipgf : _task, grid_cpu_task, grid_ref_task, hfx_types::hfx_pgf_list, rocm_backend::task_info, task_list_types::task_type
ipi_energy : ipi_environment_types::ipi_environment_type
ipi_env : force_env_types::force_env_type
ipi_forces : ipi_environment_types::ipi_environment_type
ipiv : qs_environment_types::qs_environment_type
ipivot : qs_ot_types::qs_ot_type
ipmatrix : helium_types::helium_solvent_type
ipresent : cp_parser_ilist_types::ilist_type
iprint : mc_types::mc_simpar_type, powell::opt_state_type
irac_degree : qs_ot_types::qs_ot_settings_type
iram : arnoldi_types::arnoldi_control_type
is_assoc_atomic_block : hfx_types::hfx_type
is_constraint : qs_cdft_types::cdft_control_type
is_coulomb : atom_upf::atom_upfpot_type
is_crystal : mscfg_types::molecular_scf_guess_env_type
is_fast_dirty : mscfg_types::molecular_scf_guess_env_type
is_fragment_constraint : qs_cdft_types::cdft_group_type
is_local : kpoint_types::kpoint_env_type
is_mgrid : qs_tddfpt2_subgroups::tddfpt_subgroup_env_type
is_nonlocal : atom_sgp::atom_sgp_potential_type, atom_types::atom_sgppot_type, external_potential_types::sgp_potential_type
is_odd : mixed_cdft_types::mixed_cdft_settings_type
is_onfo : fist_neighbor_list_types::neighbor_kind_pairs_type
is_ortho : eri_mme_types::eri_mme_param
is_paw : atom_upf::atom_upfpot_type
is_pencil : mixed_cdft_types::mixed_cdft_type
is_periodic : xas_tdp_types::xas_tdp_control_type
is_proj_mo : cp_control_types::rtp_control_type
is_restart : cp_control_types::tddfpt2_control_type
is_special : mixed_cdft_types::mixed_cdft_type
is_spherical : mixed_cdft_types::mixed_cdft_settings_type
is_split : qs_tddfpt2_subgroups::tddfpt_subgroup_env_type
is_ultrasoft : atom_upf::atom_upfpot_type
is_valid : eri_mme_types::eri_mme_param
isave : cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type
iscf : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
iset : _task, grid_cpu_task, grid_ref_task, rocm_backend::task_info, task_list_types::task_type
isnap : reftraj_types::reftraj_type
isoprj : paw_proj_set_types::paw_proj_set_type
issc : qs_linres_types::issc_env_type
issc_factor : qs_linres_types::issc_env_type
issc_factor_gapw : qs_linres_types::issc_env_type
issc_gapw_radius : qs_linres_types::issc_env_type
issc_loc : qs_linres_types::issc_env_type
issc_natms : qs_linres_types::issc_env_type
issc_on_atom_list : qs_linres_types::issc_env_type
istart : cp_parser_ilist_types::ilist_type, hfx_types::hfx_block_range_type, hfx_types::hfx_distribution
istat : cp_parser_buffer_types::buffer_type
istep : neb_types::neb_type, pao_types::pao_env_type, qs_cdft_types::cdft_control_type, rt_propagation_types::rt_prop_type
istore : almo_scf_lbfgs_types::lbfgs_history_type, almo_scf_types::almo_scf_history_type
istriz : cryssym::csym_type, space_groups_types::spgr_type
it : helium_types::helium_solvent_type
iter : dbt_block::dbt_iterator_type, dbt_tas_types::dbt_tas_iterator, pint_types::pint_env_type, rt_propagation_types::rt_prop_type
iter_count : outer_scf_control_types::qs_outer_scf_type, qs_scf_types::qs_scf_env_type
iter_delta : qs_scf_types::qs_scf_env_type
iter_ij : qs_tensors_types::neighbor_list_3c_iterator_type
iter_info : cp_log_handling::cp_logger_type
iter_ini_diis : dm_ls_scf_types::ls_scf_env_type
iter_jk : qs_tensors_types::neighbor_list_3c_iterator_type
iter_level : qs_tensors_types::neighbor_list_3c_iterator_type
iter_method : qs_density_mixing_types::mixing_storage_type, qs_scf_types::qs_scf_env_type
iter_norot : helium_types::helium_solvent_type
iter_param : qs_scf_types::qs_scf_env_type
iter_rot : helium_types::helium_solvent_type
iteration : cp_iter_types::cp_iteration_info_type
iterative : hirshfeld_types::hirshfeld_type
itest : powell::opt_state_type
itick : dbm_comm_iterator_t
itimes : integrator_utils::tmp_variables_type, md_environment_types::md_environment_type, mdctrl_types::glbopt_mdctrl_data_type, reftraj_types::reftraj_type
itimes0 : reftraj_types::reftraj_type
itimes_start : averages_types::average_quantities_type
itmp_atoms_1d : helium_types::helium_solvent_type
itmp_atoms_np_1d : helium_types::helium_solvent_type
itype : damping_dipole_types::damping_type, molecule_kind_types::bend_type, molecule_kind_types::bond_type, molecule_kind_types::fixd_constraint_type, molecule_kind_types::impr_type, molecule_kind_types::opbend_type, molecule_kind_types::torsion_type, molecule_kind_types::ub_type
itype_scf : ps_wavelet_types::ps_wavelet_type
iunit : space_groups_types::spgr_type
iupcltrans : mc_types::mc_simpar_type
iuptrans : mc_types::mc_simpar_type
iupvolume : mc_types::mc_simpar_type
iw : glbopt_history::history_type, glbopt_master::glbopt_master_type, glbopt_mincrawl::mincrawl_type, glbopt_minhop::minhop_type, glbopt_worker::glbopt_worker_type, helium_types::helium_solvent_type, linesearch::linesearch_type, pao_types::pao_env_type, swarm_master::swarm_master_type, swarm_worker::swarm_worker_type
iw_atoms : pao_types::pao_env_type
iw_fockev : pao_types::pao_env_type
iw_gap : pao_types::pao_env_type
iw_mldata : pao_types::pao_env_type
iw_mlvar : pao_types::pao_env_type
iw_opt : pao_types::pao_env_type
iwsinex : pint_types::pint_env_type