CP2K: Class Members

Here is a list of all class members with links to the classes they belong to:

- i -

i : dbcsr_types::dbcsr_imagedistribution_obj
i1 : fp_types::fp_type
i2 : fp_types::fp_type
i_at : colvar_types::dist_colvar_type , colvar_types::gyration_colvar_type
i_at1_bond1 : colvar_types::rotation_colvar_type
i_at1_bond2 : colvar_types::rotation_colvar_type
i_at2_bond1 : colvar_types::rotation_colvar_type
i_at2_bond2 : colvar_types::rotation_colvar_type
i_at_angle : colvar_types::angle_colvar_type
i_at_dfunct : colvar_types::dfunct_colvar_type
i_at_from : colvar_types::coord_colvar_type , colvar_types::population_colvar_type , colvar_types::qparm_colvar_type
i_at_to : colvar_types::population_colvar_type , colvar_types::qparm_colvar_type , colvar_types::coord_colvar_type
i_at_to_b : colvar_types::coord_colvar_type
i_at_tors : colvar_types::torsion_colvar_type
i_atom : colvar_types::xyz_diag_colvar_type , colvar_types::colvar_type
i_atoms : colvar_types::xyz_outerdiag_colvar_type , molecule_kind_types::colvar_constraint_type
i_coord_from : colvar_types::mindist_colvar_type
i_coord_to : colvar_types::mindist_colvar_type
i_dist_from : colvar_types::mindist_colvar_type
i_hydrogens : colvar_types::hydronium_colvar_type
i_oxygens : colvar_types::hydronium_colvar_type
i_rmsd : colvar_types::reaction_path_colvar_type , colvar_types::rmsd_colvar_type
I_scp : atomic_kind_types::atomic_kind_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
iacc : ga_environment_types::ga_environment_type
iatom : qs_neighbor_list_types::neighbor_list_iterator_type
iatom_list : hfx_types::hfx_2D_map
ib : k290::csym_type
ibackup : input_section_types::section_vals_type
ICAMAX() : f77_blas_generic::BL_IAMAX , f77_blas_netlib::ICAMAX
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 : farming_types::job_type
id : btree_i8_k_cp2d_v::btree_node , btree_i8_k_dp2d_v::btree_node , btree_i8_k_sp2d_v::btree_node , btree_i8_k_zp2d_v::btree_node , dbcsr_types::dbcsr_imagedistribution_type , dbcsr_types::dbcsr_data_area_type , kg_vertex_coloring_methods::vertex
id_atmname : topology_types::atom_info_type
id_atom_names : topology_types::atom_info_type
id_direction : metadynamics_types::wall_type
id_element : topology_types::atom_info_type
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 : averages_types::average_quantities_type , pw_poisson_types::pw_poisson_type , pw_poisson_types::greens_fn_type , barostat_types::barostat_type , pw_pool_types::pw_pool_type , pw_spline_utils::pw_spline_precond_type , cell_opt_types::cell_opt_env_type , pw_types::pw_type , qmmm_types::qmmm_env_qm_type , cell_types::cell_type , qmmm_types::qmmm_env_mm_type , qs_diis_types::qs_diis_buffer_type , cp_cfm_types::cp_cfm_type , qs_environment_types::qs_environment_type , qs_kpp1_env_types::qs_kpp1_env_type , cp_control_types::dft_control_type , qs_ks_qmmm_types::qs_ks_qmmm_env_type , qs_ks_scp_types::qs_ks_scp_env_type , cp_ddapc_types::cp_ddapc_type , qs_ks_types::qs_ks_env_type , qs_matrix_pools::qs_matrix_pools_type , cp_fm_pool_types::cp_fm_pool_type , qs_p_env_types::qs_p_env_type , qs_p_sparse_psi::qs_p_projection_type , cp_fm_struct::cp_fm_struct_type , qs_rho_types::qs_rho_type , qs_scf_types::qs_scf_env_type , cp_fm_types::cp_fm_type , qs_wf_history_types::qs_wf_snapshot_type , qs_wf_history_types::qs_wf_history_type , cp_iter_types::cp_iteration_info_type , realspace_grid_types::realspace_grid_type , replica_types::replica_env_type , cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type , ri_environment_types::ri_environment_type , scf_control_types::scf_control_type , cp_log_handling::cp_logger_type , scp_coeff_types::aux_coeff_set_type , scp_coeff_types::aux_coeff_type , cp_output_handling::cp_out_flags_type , scp_environment_types::scp_environment_type , scp_rho_types::scp_rho_type , cp_parser_types::cp_parser_type , splines_types::spline_data_type , splines_types::spline_environment_type , cp_subsys_types::cp_subsys_type , thermal_region_types::thermal_regions_type , thermostat_types::thermostats_type , cp_units::cp_unit_type , thermostat_types::thermostat_type , virial_types::virial_type , cp_units::cp_unit_set_type , xc_derivative_set_types::xc_derivative_set_type , xc_derivative_types::xc_derivative_type , cpot_types::cpot_type , xc_rho_set_types::xc_rho_set_type , dbcsr_types::dbcsr_type , dg_rho0_types::dg_rho0_type , dg_types::dg_type , dimer_types::dimer_env_type , distribution_1d_types::distribution_1d_type , distribution_2d_types::distribution_2d_type , eip_environment_types::eip_environment_type , ep_qs_types::ep_qs_type , ep_types::ep_force_type , ep_types::ep_env_type , ewald_environment_types::ewald_environment_type , ewald_pw_types::ewald_pw_type , f77_interface::f_env_type , fist_environment_types::fist_environment_type , fist_nonbond_env_types::fist_nonbond_env_type , force_env_types::force_env_type , ga_environment_types::ga_environment_type , global_types::global_environment_type , gopt_f_types::gopt_f_type , gopt_param_types::gopt_param_type , harris_energy_types::harris_energy_type , harris_env_types::harris_env_type , harris_force_types::harris_force_type , helium_types::helium_solvent_type , input_enumeration_types::enumeration_type , input_keyword_types::keyword_type , input_section_types::section_type , input_section_types::section_vals_type , input_val_types::val_type , lri_environment_types::lri_environment_type , lri_environment_types::lri_density_type , mc_environment_types::mc_environment_type , md_ener_types::md_ener_type , md_environment_types::md_environment_type , message_passing::mp_perf_env_type , metadynamics_types::meta_env_type , mixed_environment_types::mixed_environment_type , mol_kind_new_list_types::mol_kind_new_list_type , mol_new_list_types::mol_new_list_type , multipole_types::multipole_type , particle_list_types::particle_list_type , pint_types::pint_env_type , pint_types::normalmode_env_type , atomic_kind_list_types::atomic_kind_list_type , pint_types::staging_env_type , pw_grid_types::pw_grid_type
id_omp : machine_architecture_types::thread_inf
id_real : machine_architecture_types::thread_inf
id_resname : topology_types::atom_info_type
id_type : force_field_types::bond_kind_type , force_field_types::bend_kind_type , force_field_types::ub_kind_type , force_field_types::torsion_kind_type , force_field_types::impr_kind_type , force_field_types::opbend_kind_type , metadynamics_types::wall_type , molecule_kind_types::bond_type , molecule_kind_types::bend_type , molecule_kind_types::ub_type , molecule_kind_types::torsion_type , molecule_kind_types::impr_type , molecule_kind_types::opbend_type , neb_types::neb_type
IDAMAX() : f77_blas_generic::BL_IAMAX , f77_blas_netlib::IDAMAX
ids : colvar_types::Wc_colvar_type , colvar_types::HBP_colvar_type
idum : global_types::global_environment_type
idz : powell::opt_state_type
ielm_acc : ga_environment_types::ga_environment_type
ielm_get : ga_environment_types::ga_environment_type
ielm_put : ga_environment_types::ga_environment_type
iend : cp_parser_ilist_types::ilist_type , hfx_types::hfx_block_range_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
iget : ga_environment_types::ga_environment_type
ignore_missing_critical : force_field_types::force_field_type
ignore_whitespace : xml_parser::XML_PARSE
igrid_zet0_s : qs_rho0_types::rho0_mpole_type
igroup : molsym::molsym_type
ihc : k290::csym_type
ihg : k290::csym_type
ihist : scp_diis_utils::diis_info_type
ij_kind : fist_neighbor_list_types::neighbor_kind_pairs_type
ij_kind_full_fac : fist_nonbond_env_types::fist_nonbond_env_type
ikind : molecule_kind_types::local_fixd_constraint_type , qs_neighbor_list_types::neighbor_list_iterator_type
ilist : cp_parser_types::cp_parser_type , qs_neighbor_list_types::neighbor_list_iterator_type
image_charge : qmmm_types::qmmm_env_qm_type
image_charge_pot : qmmm_types::qmmm_env_qm_type
image_coeff : qs_environment_types::qs_environment_type
image_dist : dbcsr_types::dbcsr_array_type , dbcsr_types::dbcsr_2d_array_type
image_forcesMM : qmmm_types::image_charge_type
image_list : hfx_types::hfx_pgf_list
image_matrix : qs_environment_types::qs_environment_type
image_mm_list : qmmm_types::image_charge_type
image_restart : qmmm_types::image_charge_type
imass1 : molecule_types_new::local_g3x3_constraint_type , molecule_types_new::local_g4x6_constraint_type
imass2 : molecule_types_new::local_g3x3_constraint_type , molecule_types_new::local_g4x6_constraint_type
imass3 : molecule_types_new::local_g3x3_constraint_type , molecule_types_new::local_g4x6_constraint_type
imass4 : molecule_types_new::local_g4x6_constraint_type
Immed : fparser::tComp
ImmedSize : fparser::tComp
imomm : qmmm_types::qmmm_links_type
impr_a : force_field_types::input_info_type , force_field_types::charmm_info_type , topology_types::connectivity_info_type
impr_b : force_field_types::input_info_type , force_field_types::charmm_info_type , topology_types::connectivity_info_type
impr_c : topology_types::connectivity_info_type , force_field_types::input_info_type , force_field_types::charmm_info_type
impr_d : force_field_types::input_info_type , force_field_types::charmm_info_type , topology_types::connectivity_info_type
impr_k : force_field_types::input_info_type , force_field_types::charmm_info_type , force_field_types::gromos_info_type
impr_kind : molecule_kind_types::impr_type , force_field_types::input_info_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::input_info_type , force_field_types::gromos_info_type
impr_type : topology_types::connectivity_info_type
in : fft_tools::fft_scratch_type
in_box : mc_types::mc_molecule_info_type
in_space : pw_types::pw_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 , lri_environment_types::lri_environment_type , lri_environment_types::lri_density_type , mc_types::mc_input_file_type , neb_types::neb_var_type , optimize_basis_types::use_contr_type , pw_types::pw_type , ri_environment_types::ri_environment_type , preconditioner_types::preconditioner_type , mc_environment_types::mc_environment_type
in_use_set : optimize_basis_types::derived_basis_info
incl_walltime_accu : timings_base_type::call_stat_type , timings_base_type::routine_stat_type
index : dbcsr_message_passing::mp_indexing_meta_type , dbcsr_types::dbcsr_type , extended_system_types::map_info_type , kg_min_heap::heap_t
Index1 : qmmm_types::add_env_type
Index2 : qmmm_types::add_env_type
index_descriptor : dbcsr_message_passing::mp_type_descriptor_type
index_grid_local : qs_pdos::r_ldos_type
index_list : qs_oce_types::qlist_type
index_memory_type : dbcsr_types::dbcsr_type
index_table : mp2_types::mp2_biel_type
index_windows : dbcsr_types::dbcsr_array_type
indi : semi_empirical_mpole_types::semi_empirical_mpole_type
indj : semi_empirical_mpole_types::semi_empirical_mpole_type
indpg : k290::csym_type
influence_fn : pw_poisson_types::greens_fn_type
info : cp_error_handling::cp_error_type , reftraj_types::reftraj_type
info_constraint : simpar_types::simpar_type
init : md_environment_types::md_environment_type , molecule_types_new::local_colvar_constraint_type , molecule_types_new::local_g3x3_constraint_type , optimize_basis_types::exp_constraint_type , reftraj_types::reftraj_type , molecule_types_new::local_g4x6_constraint_type
init_all_potential() : external_potential_types::init_potential
init_gth_potential() : external_potential_types::init_potential
init_u_ramping_each_scf : atomic_kind_types::dft_plus_u_type
initial_ekin : mc_types::mc_ekin_type
initial_guess : mode_selective::ms_vib_type
initial_p : hfx_types::hfx_type
initial_p_forces : hfx_types::hfx_type
initial_step : cp_control_types::rtp_control_type , gopt_param_types::cg_ls_param_type
initial_variables : cp_parser_types::cp_parser_type
initial_wfn : cp_control_types::rtp_control_type
initialized : cp_error_handling::cp_error_type , dbcsr_types::dbcsr_type
inner_atoms : fp_types::fp_type
inner_radius : fp_types::fp_type
inode : qs_neighbor_list_types::neighbor_list_iterator_type
inp_info : force_field_types::force_field_type , qmmm_types::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 : pint_types::pint_env_type , mixed_environment_types::mixed_environment_type , cpot_types::cpot_type , ep_types::ep_env_type , farming_types::job_type , fist_environment_types::fist_environment_type , helium_types::helium_solvent_type , scp_environment_types::scp_environment_type , qs_environment_types::qs_environment_type , cp_output_handling::cp_out_flags_type
input_file : mc_types::mc_simpar_type
input_file_name : cp_parser_types::cp_parser_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_unit : cp_parser_types::cp_parser_type
int : atom_types::eri , neb_types::neb_var_type
int_list : lri_environment_types::lri_int_p_list
int_stack : hfx_libint_wrapper_types::lib_deriv , hfx_libint_wrapper_types::lib_int
intac : qs_oce_types::oce_matrix_type
integ_group_size : mp2_types::mp2_laplace_type
integer_type : cp_result_types::cp_result_value_type
integral_caches : hfx_types::hfx_type , semi_empirical_store_int_types::semi_empirical_si_type
integral_caches_disk : hfx_types::hfx_type
integral_caches_forces : hfx_types::hfx_type
integral_containers : hfx_types::hfx_type , semi_empirical_store_int_types::semi_empirical_si_type
integral_containers_disk : hfx_types::hfx_type
integral_containers_forces : hfx_types::hfx_type
integral_screening : cp_control_types::semi_empirical_control_type , semi_empirical_types::se_int_control_type
integrals : atom_types::atom_type
integrate_grid_function1() : atom_utils::integrate_grid
integrate_grid_function2() : atom_utils::integrate_grid
integrate_grid_function3() : atom_utils::integrate_grid
inter_rep_rank : replica_types::replica_env_type
interaction_cutoffs : ewald_environment_types::ewald_environment_type
interpolate_gradient : dimer_types::dimer_rotational_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
inv_atoms : mode_selective::ms_vib_type
inv_range : mode_selective::ms_vib_type
invdt : metadynamics_types::meta_env_type
invdt_history : metadynamics_types::hills_env_type
invers : molsym::molsym_type
invert_matrix_d() : mathlib::invert_matrix
invert_matrix_z() : mathlib::invert_matrix
invert_S : cp_control_types::tddfpt_control_type
invh : splines_types::spline_data_type
invS : qs_tddfpt_types::tddfpt_env_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
ionode : cp_para_types::cp_para_env_type , mc_types::mc_simpar_type
ip_energy : xas_env_types::xas_environment_type
ipbv : pair_potential_types::pot_set_type
iperm : helium_types::helium_solvent_type
ipgf : hfx_types::hfx_pgf_list
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 : powell::opt_state_type , mc_types::mc_simpar_type
iput : ga_environment_types::ga_environment_type
iq : colvar_types::ring_puckering_colvar_type
iq1 : k290::csym_type
iq2 : k290::csym_type
iq3 : k290::csym_type
irac_degree : qs_ot_types::qs_ot_settings_type
is_assoc_atomic_block : hfx_types::hfx_type
is_cited : reference_manager::reference_type
is_onfo : fist_neighbor_list_types::neighbor_kind_pairs_type
ISAMAX() : f77_blas_netlib::ISAMAX , f77_blas_generic::BL_IAMAX
isave : cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type
ISI_record : reference_manager::reference_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 : hfx_types::hfx_block_range_type , cp_parser_ilist_types::ilist_type , hfx_types::hfx_distribution
istat : cp_parser_buffer_types::buffer_type
istep : rt_propagation_types::rt_prop_type , neb_types::neb_type
istore : dm_ls_scf_types::ls_mat_history_type
istriz : k290::csym_type
iswap() : dbcsr_toollib::swap
isy : k290::csym_type
itc : qs_resp::resp_type
iter : pint_types::pint_env_type , qs_kpp1_env_types::qs_kpp1_env_type , rt_propagation_types::rt_prop_type , qs_p_env_types::qs_p_env_type
iter_count : qs_scf_types::qs_scf_env_type , xas_env_types::xas_environment_type , qs_scf_types::qs_outer_scf_type
iter_delta : qs_scf_types::qs_scf_env_type
iter_info : cp_log_handling::cp_logger_type
iter_method : qs_scf_types::qs_scf_env_type , qs_density_mixing_types::mixing_storage_type
iter_norot : helium_types::helium_solvent_type
iter_param : qs_scf_types::qs_scf_env_type
iter_rot : helium_types::helium_solvent_type
iter_start_val : optimize_input::oi_env_type
iteration : cp_iter_types::cp_iteration_info_type
iterator_next_1d_block_c() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_1d_block_d() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_1d_block_s() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_1d_block_z() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_2d_block_c() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_2d_block_d() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_2d_block_s() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_2d_block_z() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_area_block() : dbcsr_iterator_operations::dbcsr_iterator_next_block
iterator_next_block_index() : dbcsr_iterator_operations::dbcsr_iterator_next_block
itest : powell::opt_state_type
itimes : reftraj_types::reftraj_type , integrator_utils::tmp_variables_type , md_environment_types::md_environment_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 : molecule_kind_types::fixd_constraint_type , molecule_kind_types::bend_type , molecule_kind_types::opbend_type , molecule_kind_types::bond_type , damping_dipole_types::damping_type , molecule_kind_types::torsion_type , molecule_kind_types::ub_type , molecule_kind_types::impr_type
itype_scf : ps_wavelet_types::ps_wavelet_type
iuptrans : mc_types::mc_simpar_type
iupvolume : mc_types::mc_simpar_type
IZAMAX() : f77_blas_generic::BL_IAMAX , f77_blas_netlib::IZAMAX