Here is a list of all variables with links to the structures/unions they belong to:
- m -
- m : admm_dm_types::mcweeny_history_type, admm_types::admm_type, basis_set_types::gto_basis_set_type, cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type, dbm_task_t, dgemm_params_, fft_plan::fft_plan_type, force_field_kind_types::torsion_kind_type, pair_potential_types::ipbv_pot_type, paw_proj_set_types::paw_proj_set_type
- m1 : cab_store
- m_b : almo_scf_diis_types::almo_scf_diis_type
- m_dist_type : helium_types::helium_solvent_type
- m_env : tmc_types::tmc_env_type
- m_epsilon : qs_p_env_types::qs_p_env_type
- m_err : almo_scf_diis_types::almo_scf_diis_type
- m_purify : admm_types::admm_type
- m_ratio : helium_types::helium_solvent_type
- m_value : helium_types::helium_solvent_type
- m_var : almo_scf_diis_types::almo_scf_diis_type
- magnetic_origin : qs_linres_types::vcd_env_type
- magnetic_origin_atom : qs_linres_types::vcd_env_type
- magnetization : qs_kind_types::qs_kind_type
- main_stream : rocm_backend::context_info
- mal : gle_system_types::gle_type
- mao : ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type, qs_kind_types::qs_kind_type
- mao_coef : ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type
- mao_eps1 : ec_env_types::energy_correction_type
- mao_eps_grad : ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type
- mao_iolevel : ec_env_types::energy_correction_type
- mao_max_iter : ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type
- map : collocation_integration_
- map1_2d : dbt_index::nd_to_2d_mapping
- map2_2d : dbt_index::nd_to_2d_mapping
- map_atom_to_kind_atom : hfx_types::hfx_type
- map_atoms_to_cpus : hfx_types::hfx_type
- map_index : extended_system_types::map_info_type
- map_info : al_system_types::al_system_type, csvr_system_types::csvr_system_type, extended_system_types::lnhc_parameters_type, gle_system_types::gle_type
- map_loc_thermo_gen : thermostat_types::thermostat_info_type
- map_mol_num : topology_types::atom_info_type
- map_mol_res : topology_types::atom_info_type
- map_mol_typ : topology_types::atom_info_type
- map_nd : dbt_index::nd_to_2d_mapping
- mapl : pw_grid_types::pw_grid_type
- mapm : pw_grid_types::pw_grid_type
- mapn : pw_grid_types::pw_grid_type
- mask : qs_environment_types::qs_environment_type
- mass : atomic_kind_types::atomic_kind_type, extended_system_types::npt_info_type, mc_types::mc_molecule_info_type, metadynamics_types::metavar_type, molecule_kind_types::molecule_kind_type, pint_types::pint_env_type, tmc_types::tmc_atom_type
- mass_beads : pint_types::pint_env_type
- mass_core : shell_potential_types::shell_kind_type
- mass_fict : pint_types::pint_env_type
- mass_shell : shell_potential_types::shell_kind_type
- massfact : pint_types::pile_therm_type, pint_types::qtb_therm_type
- massfrac : shell_potential_types::shell_kind_type
- master : cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type, swarm_mpi::swarm_mpi_type
- master_output_path : swarm_mpi::swarm_mpi_type
- mat : orbital_transformation_matrices::orbrotmat_type
- mat_ao_ao : post_scf_bandstructure_types::post_scf_bandstructure_type
- mat_ao_ao_tensor : post_scf_bandstructure_types::post_scf_bandstructure_type
- mat_chi_gamma_tau : post_scf_bandstructure_types::post_scf_bandstructure_type
- mat_distr_aos : almo_scf_types::almo_scf_env_type
- mat_distr_mos : almo_scf_types::almo_scf_env_type
- mat_exp : cp_control_types::rtp_control_type
- mat_exp_method : rt_bse_types::rtbse_env_type
- mat_q_diagonal : rpa_sigma_functional::rpa_sigma_type
- mat_ri_ri : post_scf_bandstructure_types::post_scf_bandstructure_type
- mat_ri_ri_tensor : post_scf_bandstructure_types::post_scf_bandstructure_type
- mat_v_soc_xyz : post_scf_bandstructure_types::post_scf_bandstructure_type
- matrix : almo_scf_lbfgs_types::lbfgs_history_type, cp_cfm_types::cp_cfm_p_type, cp_dbcsr_api::dbcsr_p_type, cp_fm_types::cp_fm_p_type, dbm_iterator_t, dbt_tas_types::dbt_tas_type, mixed_cdft_types::mixed_cdft_type, negf_alloc_types::negf_allocatable_imatrix, negf_alloc_types::negf_allocatable_rmatrix
- matrix_a : admm_dm_types::admm_dm_type, dm_ls_scf_types::ls_mstruct_type
- matrix_apply_op_constant : qs_linres_types::dcdr_env_type
- matrix_aux : xas_tdp_types::donor_state_type
- matrix_b : dm_ls_scf_types::ls_mstruct_type
- matrix_bch : dm_ls_scf_types::ls_scf_curvy_type
- matrix_bfgs : pao_types::pao_env_type
- matrix_bs_sqrt : dm_ls_scf_types::ls_scf_env_type
- matrix_bs_sqrt_inv : dm_ls_scf_types::ls_scf_env_type
- matrix_buf1 : qs_ot_types::qs_ot_type
- matrix_buf1_ortho : qs_ot_types::qs_ot_type
- matrix_buf2 : qs_ot_types::qs_ot_type
- matrix_buf2_ortho : qs_ot_types::qs_ot_type
- matrix_buf3 : qs_ot_types::qs_ot_type
- matrix_buf4 : qs_ot_types::qs_ot_type
- matrix_c0 : qs_ot_types::qs_ot_type
- matrix_core_charge_1 : qs_linres_types::dcdr_env_type
- matrix_cosp : qs_ot_types::qs_ot_type
- matrix_cosp_b : qs_ot_types::qs_ot_type
- matrix_d : pao_types::pao_env_type
- matrix_d_preconed : pao_types::pao_env_type
- matrix_d_vhxc_dr : qs_linres_types::dcdr_env_type
- matrix_dcom : qs_linres_types::vcd_env_type
- matrix_difdip : qs_linres_types::dcdr_env_type
- matrix_difdip2 : qs_linres_types::vcd_env_type
- matrix_dp : dm_ls_scf_types::ls_scf_curvy_type
- matrix_drpnl : qs_linres_types::vcd_env_type
- matrix_dsdb : qs_linres_types::vcd_env_type
- matrix_dsdv : qs_linres_types::vcd_env_type
- matrix_dso : qs_linres_types::issc_env_type
- matrix_dx : qs_ot_types::qs_ot_type
- matrix_efg : qs_linres_types::issc_env_type
- matrix_eoo : almo_scf_types::almo_scf_env_type
- matrix_err_blk : almo_scf_types::almo_scf_env_type
- matrix_err_xx : almo_scf_types::almo_scf_env_type
- matrix_evv_full : almo_scf_types::almo_scf_env_type
- matrix_fc : qs_linres_types::issc_env_type
- matrix_g : pao_types::pao_env_type
- matrix_g_prev : pao_types::pao_env_type
- matrix_gx : qs_ot_types::qs_ot_type
- matrix_gx_old : qs_ot_types::qs_ot_type
- matrix_h : ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type, qs_ks_qmmm_types::qs_ks_qmmm_env_type, qs_ks_types::qs_ks_env_type
- matrix_h0 : pao_types::pao_env_type
- matrix_h_e : qs_ot_types::qs_ot_type
- matrix_h_im : qs_ks_types::qs_ks_env_type
- matrix_h_x : qs_ot_types::qs_ot_type
- matrix_hc : qs_linres_types::dcdr_env_type
- matrix_hr : qs_linres_types::vcd_env_type
- matrix_hxc_dsdv : qs_linres_types::vcd_env_type
- matrix_hz : ec_env_types::energy_correction_type, exstates_types::excited_energy_type
- matrix_iter_eps_error_factor : almo_scf_types::almo_scf_env_type
- matrix_k_blk : almo_scf_types::almo_scf_env_type
- matrix_k_blk_ones : almo_scf_types::almo_scf_env_type
- matrix_k_tr : almo_scf_types::almo_scf_env_type
- matrix_ks : almo_scf_types::almo_scf_env_type, ct_types::ct_step_env_type, dm_ls_scf_types::ls_scf_env_type, ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type, qs_ks_types::qs_ks_env_type
- matrix_ks_0deloc : almo_scf_types::almo_scf_env_type
- matrix_ks_aux_fit : admm_types::admm_type
- matrix_ks_aux_fit_dft : admm_types::admm_type
- matrix_ks_aux_fit_hfx : admm_types::admm_type
- matrix_ks_aux_fit_im : admm_types::admm_type
- matrix_ks_blk : almo_scf_types::almo_scf_env_type
- matrix_ks_im : qs_ks_types::qs_ks_env_type
- matrix_m_alpha : qs_linres_types::dcdr_env_type
- matrix_n : pao_types::pao_env_type
- matrix_n_diag : pao_types::pao_env_type
- matrix_n_inv : pao_types::pao_env_type
- matrix_n_inv_diag : pao_types::pao_env_type
- matrix_nosym_temp : qs_linres_types::dcdr_env_type
- matrix_nosym_temp2 : qs_linres_types::dcdr_env_type
- matrix_nosym_temp2_33 : qs_linres_types::vcd_env_type
- matrix_nosym_temp_33 : qs_linres_types::vcd_env_type
- matrix_order : cp_fm_diag_utils::cp_fm_redistribute_info
- matrix_os : qs_ot_types::qs_ot_type
- matrix_ov : almo_scf_types::almo_scf_env_type
- matrix_ov_disc : almo_scf_types::almo_scf_env_type
- matrix_ov_full : almo_scf_types::almo_scf_env_type
- matrix_p : almo_scf_types::almo_scf_env_type, ct_types::ct_step_env_type, dm_ls_scf_types::ls_scf_curvy_type, dm_ls_scf_types::ls_scf_env_type, ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type, qs_cdft_types::cdft_control_type, qs_ot_types::qs_ot_type
- matrix_p_blk : almo_scf_types::almo_scf_env_type
- matrix_p_mp2 : qs_ks_types::qs_ks_env_type
- matrix_p_mp2_admm : qs_ks_types::qs_ks_env_type
- matrix_p_ready : pao_types::pao_env_type
- matrix_p_up_down : almo_scf_types::almo_scf_history_type
- matrix_pe : exstates_types::excited_energy_type
- matrix_pe_admm : exstates_types::excited_energy_type
- matrix_ppnl_1 : qs_linres_types::dcdr_env_type
- matrix_pq_template : ct_types::ct_step_env_type
- matrix_precon : pao_types::pao_env_type
- matrix_precon_inv : pao_types::pao_env_type
- matrix_psave : dm_ls_scf_types::ls_scf_curvy_type
- matrix_psc0 : qs_ot_types::qs_ot_type
- matrix_pso : qs_linres_types::issc_env_type
- matrix_px1 : exstates_types::excited_energy_type
- matrix_px1_admm : exstates_types::excited_energy_type
- matrix_px1_admm_asymm : exstates_types::excited_energy_type
- matrix_px1_asymm : exstates_types::excited_energy_type
- matrix_pz : qs_block_davidson_types::davidson_type
- matrix_qp_template : ct_types::ct_step_env_type
- matrix_r : pao_types::pao_env_type, qs_ot_types::qs_ot_type
- matrix_r_doublecom : qs_linres_types::vcd_env_type
- matrix_r_rxvr : qs_linres_types::vcd_env_type
- matrix_rcomr : qs_linres_types::vcd_env_type
- matrix_rep : dbt_types::dbt_type
- matrix_res : ct_types::ct_step_env_type
- matrix_rh : qs_linres_types::vcd_env_type
- matrix_rrcom : qs_linres_types::vcd_env_type
- matrix_rxrv : qs_linres_types::vcd_env_type
- matrix_rxvr_r : qs_linres_types::vcd_env_type
- matrix_s : almo_scf_types::almo_scf_env_type, dm_ls_scf_types::ls_scf_env_type, ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type, qs_cdft_types::cdft_control_type, qs_ks_types::qs_ks_env_type, qs_linres_types::dcdr_env_type
- matrix_s1 : qs_linres_types::dcdr_env_type
- matrix_s_aux_fit : admm_types::admm_type
- matrix_s_aux_fit_vs_orb : admm_types::admm_type
- matrix_s_blk : almo_scf_types::almo_scf_env_type
- matrix_s_blk_inv : almo_scf_types::almo_scf_env_type
- matrix_s_blk_sqrt : almo_scf_types::almo_scf_env_type
- matrix_s_blk_sqrt_inv : almo_scf_types::almo_scf_env_type
- matrix_s_inv : almo_scf_types::almo_scf_env_type, dm_ls_scf_types::ls_scf_env_type
- matrix_s_ri_aux : qs_ks_types::qs_ks_env_type
- matrix_s_sqrt : almo_scf_types::almo_scf_env_type, dm_ls_scf_types::ls_scf_env_type
- matrix_s_sqrt_inv : almo_scf_types::almo_scf_env_type, dm_ls_scf_types::ls_scf_env_type
- matrix_sc0 : qs_ot_types::qs_ot_type
- matrix_shalf : xas_tdp_types::xas_tdp_env_type
- matrix_sigma : almo_scf_types::almo_scf_env_type
- matrix_sigma_blk : almo_scf_types::almo_scf_env_type
- matrix_sigma_inv : almo_scf_types::almo_scf_env_type
- matrix_sigma_inv_0deloc : almo_scf_types::almo_scf_env_type
- matrix_sigma_sqrt : almo_scf_types::almo_scf_env_type
- matrix_sigma_sqrt_inv : almo_scf_types::almo_scf_env_type
- matrix_sigma_vv : almo_scf_types::almo_scf_env_type
- matrix_sigma_vv_blk : almo_scf_types::almo_scf_env_type
- matrix_sigma_vv_sqrt : almo_scf_types::almo_scf_env_type
- matrix_sigma_vv_sqrt_inv : almo_scf_types::almo_scf_env_type
- matrix_sinp : qs_ot_types::qs_ot_type
- matrix_sinp_b : qs_ot_types::qs_ot_type
- matrix_struct : cp_cfm_types::cp_cfm_type, cp_fm_types::cp_fm_type
- matrix_sx : qs_ot_types::qs_ot_type
- matrix_t : almo_scf_types::almo_scf_env_type, almo_scf_types::almo_scf_history_type, ct_types::ct_step_env_type, ec_env_types::energy_correction_type, kg_environment_types::energy_correction_type, qs_linres_types::dcdr_env_type
- matrix_t1 : qs_linres_types::dcdr_env_type
- matrix_t_blk : almo_scf_types::almo_scf_env_type
- matrix_t_tr : almo_scf_types::almo_scf_env_type
- matrix_u0 : pao_types::pao_env_type
- matrix_update : rt_propagation_types::rt_prop_type
- matrix_v : almo_scf_types::almo_scf_env_type, ct_types::ct_step_env_type
- matrix_v_blk : almo_scf_types::almo_scf_env_type
- matrix_v_disc : almo_scf_types::almo_scf_env_type
- matrix_v_disc_blk : almo_scf_types::almo_scf_env_type
- matrix_v_full_blk : almo_scf_types::almo_scf_env_type
- matrix_v_terms : pao_types::pao_env_type
- matrix_vhxc_perturbed_basis : qs_linres_types::dcdr_env_type
- matrix_vo : almo_scf_types::almo_scf_env_type
- matrix_vv_disc : almo_scf_types::almo_scf_env_type
- matrix_vv_disc_blk : almo_scf_types::almo_scf_env_type
- matrix_vv_full_blk : almo_scf_types::almo_scf_env_type
- matrix_vxc : qs_ks_types::qs_ks_env_type
- matrix_w : ec_env_types::energy_correction_type, pexsi_types::lib_pexsi_env, qs_ks_types::qs_ks_env_type
- matrix_wx1 : exstates_types::excited_energy_type
- matrix_wz : ec_env_types::energy_correction_type
- matrix_x : almo_scf_types::almo_scf_env_type, ct_types::ct_step_env_type, pao_types::pao_env_type, qs_ot_types::qs_ot_type
- matrix_x_guess : ct_types::ct_step_env_type
- matrix_x_orig : pao_types::pao_env_type
- matrix_x_ready : pao_types::pao_env_type
- matrix_y : pao_types::pao_env_type
- matrix_z : ec_env_types::energy_correction_type, qs_block_davidson_types::davidson_type
- matrixinv_method : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
- max_am : hfx_types::hfx_basis_info_type
- max_ao_bf_per_atom : post_scf_bandstructure_types::post_scf_bandstructure_type
- max_bsize_mo : hfx_types::hfx_ri_type
- max_buffer_length : almo_scf_diis_types::almo_scf_diis_type
- max_cache : pw_pool_types::pw_pool_type
- max_compression_counter : hfx_types::hfx_memory_type
- max_compression_counter_disk : hfx_types::hfx_memory_type
- max_crazy_angle : qs_loc_types::localized_wfn_control_type
- max_cut : nnp_environment_types::nnp_type
- max_cycles : pao_types::pao_env_type
- max_data_size : dbm_packed_matrix_t
- max_diff : embed_types::opt_dmfet_pot_type, embed_types::opt_embed_pot_type
- max_diis : dm_ls_scf_types::ls_scf_env_type, eeq_input::eeq_solver_type, scf_control_types::scf_control_type
- max_dist : shell_potential_types::shell_kind_type
- max_dist_ao_atoms : post_scf_bandstructure_types::post_scf_bandstructure_type
- max_dr : gopt_param_types::gopt_param_type, integrator_utils::tmp_variables_type
- max_dsc : integrator_utils::tmp_variables_type
- max_dvel : integrator_utils::tmp_variables_type
- max_dvel_sc : integrator_utils::tmp_variables_type
- max_ecost : timings_base_type::routine_report_type
- max_elem : qs_dispersion_types::qs_dispersion_type
- max_energy : force_field_types::force_field_type
- max_erank : timings_base_type::routine_report_type
- max_ev_vector : pexsi_types::lib_pexsi_env, preconditioner_types::preconditioner_type
- max_f_per_iter : cp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type, gopt_param_types::gopt_param_type
- max_force : gopt_param_types::gopt_param_type
- max_g2 : qs_density_mixing_types::mixing_storage_type
- max_grid_step : embed_types::opt_embed_pot_type
- max_gvec_exp : qs_density_mixing_types::mixing_storage_type
- max_gw2x_iter : xas_tdp_types::xas_tdp_control_type
- max_h_rank : gopt_param_types::gopt_param_type
- max_history : atom_optimization::atom_history_type
- max_icost : timings_base_type::routine_report_type
- max_imr : grid_sphere_cache_entry
- max_ipol_iter : ewald_environment_types::ewald_environment_type
- max_irac : qs_ot_types::qs_ot_settings_type
- max_irank : timings_base_type::routine_report_type
- max_iso_not0 : qs_harmonics_atom::harmonics_atom_type
- max_iter : almo_scf_types::optimizer_options_type, arnoldi_types::arnoldi_control_type, atom_types::atom_optimization_type, cp_control_types::rtp_control_type, cp_control_types::sccs_control_type, ct_types::ct_step_env_type, gopt_param_types::gopt_param_type, graph_utils::mep_input_data_type, ps_implicit_types::ps_implicit_parameters, qs_block_davidson_types::davidson_type, qs_linres_types::linres_control_type, qs_loc_types::localized_wfn_control_type, qs_scf_types::krylov_space_type, qs_scf_types::subspace_env_type, swarm_master::swarm_master_type
- max_iter_added : xas_control::xas_control_type
- max_iter_early : almo_scf_types::optimizer_options_type
- max_iter_lanczos : almo_scf_types::almo_scf_env_type, ct_types::ct_step_env_type, dm_ls_scf_types::ls_scf_env_type, hfx_types::hfx_ri_type
- max_iter_lumos : scf_control_types::scf_control_type
- max_iter_outer_loop : almo_scf_types::optimizer_options_type
- max_ls : qs_cdft_opt_types::cdft_opt_type
- max_memory : hfx_types::hfx_memory_type
- max_multipole : cp_control_types::semi_empirical_control_type, ewald_environment_types::ewald_environment_type, semi_empirical_types::se_int_control_type
- max_nblocks : dbm_packed_matrix_t
- max_nkinds : mixed_cdft_types::mixed_cdft_settings_type
- max_pao : pao_types::pao_env_type
- max_projector : qs_kind_types::pao_potential_type
- max_rad_ga : cube_utils::cube_info_type
- max_rad_local : cp_control_types::gapw_control_type, qs_kind_types::qs_kind_type
- max_radius : cube_utils::cube_info_type
- max_res_norm : qs_scf_types::krylov_space_type
- max_reuse : qs_cdft_types::cdft_control_type
- max_rpgf0_s : qs_rho0_types::rho0_mpole_type
- max_s_harm : qs_harmonics_atom::harmonics_atom_type
- max_scf : dm_ls_scf_types::ls_scf_env_type, negf_control_types::negf_control_type, outer_scf_control_types::outer_scf_control_type, scf_control_types::scf_control_type
- max_scf_hist : scf_control_types::scf_control_type
- max_set : hfx_types::hfx_basis_info_type
- max_sgf : hfx_types::hfx_basis_info_type
- max_shell : qs_density_mixing_types::mixing_storage_type
- max_steep_steps : gopt_param_types::gopt_param_type
- max_step_size : linesearch::linesearch_type
- max_steps : farming_types::farming_env_type, rt_propagation_types::rt_prop_type, simpar_types::simpar_type
- max_subsys_dens_diff : embed_types::opt_embed_pot_type
- max_taylor : qs_ot_types::qs_ot_settings_type
- max_total_calls : timings_base_type::routine_report_type
- max_trad : embed_types::opt_embed_pot_type
- max_trust_radius : almo_scf_types::optimizer_options_type
- max_val : mc_types::mc_simpar_type
- max_val_buffer : semi_empirical_store_int_types::semi_empirical_si_type
- max_vel : integrator_utils::tmp_variables_type
- max_vel_sc : integrator_utils::tmp_variables_type
- maxac : sap_kind_types::clist_type
- maxach : sap_kind_types::clist_type
- maxc : qs_dispersion_types::qs_dispersion_type
- maxci : qs_dispersion_types::qs_dispersion_type
- maxco : grid_basis_set, grid_context_, grid_cpu_task_list, grid_ref_task_list
- maxcoa : rocm_backend::smem_task< T >, rocm_backend::task_info
- maxcob : rocm_backend::smem_task< T >, rocm_backend::task_info
- maxcycle : helium_types::helium_solvent_type
- maxdegree : kg_environment_types::kg_environment_type
- maxfun : powell::opt_state_type
- maxinfo : atom_upf::atom_upfpot_type
- maxis : molsym::molsym_type
- maxl : paw_proj_set_types::paw_proj_set_type, qs_kind_types::pao_potential_type, scf_control_types::scf_control_type
- maxl_calc : atom_types::atom_state
- maxl_occ : atom_types::atom_state
- maxn_calc : atom_types::atom_state
- maxn_occ : atom_types::atom_state
- maxocc : qs_mo_types::mo_set_type
- maxpgf : grid_basis_set
- maxradius : qmmm_types_low::qmmm_env_qm_type
- maxval_cache : hfx_types::hfx_compression_type
- maxval_cache_disk : hfx_types::hfx_compression_type
- maxval_container : hfx_types::hfx_compression_type
- maxval_container_disk : hfx_types::hfx_compression_type
- maxwell_control : cp_control_types::dft_control_type
- maxwell_solver : cp_control_types::expot_control_type
- mc_bias_file : mc_types::mc_simpar_type
- mc_env : mc_environment_types::mc_environment_p_type
- mc_input_file : mc_types::mc_simpar_type
- mc_molecule_info : mc_types::mc_simpar_type
- mc_par : mc_environment_types::mc_environment_type, mc_types::mc_simulation_parameters_p_type
- mcweeny_eps : cp_control_types::rtp_control_type
- mcweeny_history : admm_dm_types::admm_dm_type
- mcweeny_max_iter : cp_control_types::rtp_control_type
- mcweeny_max_steps : admm_dm_types::admm_dm_type
- mcx2 : fft_tools::fft_scratch_sizes
- mcy3 : fft_tools::fft_scratch_sizes
- mcz1 : fft_tools::fft_scratch_sizes
- mcz2 : fft_tools::fft_scratch_sizes
- md : cp_ddapc_types::cp_ddapc_type
- md_bump_counter : mdctrl_types::glbopt_mdctrl_data_type
- md_bumps_max : glbopt_worker::glbopt_worker_type, mdctrl_types::glbopt_mdctrl_data_type
- md_ener : md_environment_types::md_environment_type
- mdata : domain_submatrix_types::domain_submatrix_type
- mdiis : eeq_input::eeq_solver_type
- mem : dbm_memchunk
- memory_depth : qs_wf_history_types::qs_wf_history_type
- memory_factor : realspace_grid_types::realspace_grid_input_type
- memory_parameter : hfx_types::hfx_type, semi_empirical_store_int_types::semi_empirical_si_type
- mepos : cp_blacs_types::cp_blacs_type, message_passing::mp_comm_type
- mepos_cart : message_passing::mp_cart_type
- mepos_global : negf_subgroup_types::negf_subgroup_env_type
- mesh : cryssym::csym_type
- mesh_size : atom_upf::atom_upfpot_type
- met1 : pair_potential_types::gal21_pot_type, pair_potential_types::gal_pot_type
- met2 : pair_potential_types::gal21_pot_type, pair_potential_types::gal_pot_type
- meta_env : force_env_types::force_env_type
- metadyn_section : metadynamics_types::meta_env_type
- metavar : metadynamics_types::meta_env_type
- method : admm_dm_types::admm_dm_type, cp2k_transport_parameters, cp_control_types::admm_control_type, glbopt_master::glbopt_master_type, linesearch::linesearch_type, mp2_types::mp2_type, ps_wavelet_types::ps_wavelet_type, pw_poisson_types::greens_fn_type, pw_poisson_types::pw_poisson_type, qs_active_space_types::eri_type, qs_scf_types::qs_scf_env_type, scf_control_types::smear_type, transport_env_types::cp2k_transport_parameters
- method_id : cp_control_types::qs_control_type, cp_control_types::sccs_control_type, gopt_param_types::gopt_param_type
- method_name_id : force_env_types::force_env_type
- method_type : atom_types::atom_type
- metric : xas_tdp_types::donor_state_type
- mg : fft_tools::fft_scratch_sizes
- mgrid_commensurate_mgrids : cp_control_types::tddfpt2_control_type
- mgrid_cutoff : cp_control_types::tddfpt2_control_type
- mgrid_e_cutoff : cp_control_types::tddfpt2_control_type
- mgrid_is_explicit : cp_control_types::tddfpt2_control_type
- mgrid_ngrids : cp_control_types::tddfpt2_control_type
- mgrid_progression_factor : cp_control_types::tddfpt2_control_type
- mgrid_realspace_mgrids : cp_control_types::tddfpt2_control_type
- mgrid_relative_cutoff : cp_control_types::tddfpt2_control_type
- mgrid_skip_load_balance : cp_control_types::tddfpt2_control_type
- min_bsize : hfx_types::hfx_ri_type
- min_disp : metadynamics_types::hills_env_type
- min_ev_vector : preconditioner_types::preconditioner_type
- min_excitation_amplitude : cp_control_types::tddfpt2_control_type
- min_filter : dm_ls_scf_types::ls_scf_curvy_type
- min_interval : cp2k_transport_parameters, transport_env_types::cp2k_transport_parameters
- min_nt_hills : metadynamics_types::hills_env_type
- min_or_max : qs_loc_types::localized_wfn_control_type
- min_res_norm : qs_scf_types::krylov_space_type
- min_shift : dm_ls_scf_types::ls_scf_curvy_type
- min_trad : embed_types::opt_embed_pot_type
- min_val : mc_types::mc_simpar_type
- mincrawl : glbopt_master::glbopt_master_type
- mincrawl_section : glbopt_mincrawl::mincrawl_type
- mindist_param : colvar_types::colvar_type
- minhop : glbopt_master::glbopt_master_type
- minima : graph_utils::mep_input_data_type
- minima_state : glbopt_minhop::minhop_type
- minima_traj_unit : glbopt_mincrawl::mincrawl_type
- minimas : glbopt_mincrawl::mincrawl_type
- minimax_grid : eri_mme_types::eri_mme_param
- mip : fft_tools::fft_scratch_type
- mixed_energy : mixed_environment_types::mixed_environment_type
- mixed_env : force_env_types::force_env_type
- mixing : cp_control_types::sccs_control_type, pao_types::pao_env_type, rt_propagation_types::rt_prop_type
- mixing_factor : rt_propagation_types::rt_prop_type
- mixing_fraction : almo_scf_types::almo_scf_env_type, dm_ls_scf_types::ls_scf_env_type
- mixing_method : negf_env_types::negf_env_type, qs_scf_types::qs_scf_env_type, qs_scf_types::subspace_env_type, scf_control_types::scf_control_type
- mixing_storage : negf_env_types::negf_env_type
- mixing_store : dm_ls_scf_types::ls_scf_env_type, qs_scf_types::qs_scf_env_type, qs_scf_types::subspace_env_type
- ml_descriptor : pao_types::pao_env_type
- ml_method : pao_types::pao_env_type
- ml_prior : pao_types::pao_env_type
- ml_tolerance : pao_types::pao_env_type
- ml_training_matrices : pao_types::pao_env_type
- ml_training_set : pao_types::pao_env_type
- mm_atom_chrg : qmmm_types_low::add_set_type, qmmm_types_low::qmmm_env_qm_type
- mm_atom_index : qmmm_types_low::add_set_type, qmmm_types_low::qmmm_env_qm_type, qmmm_types_low::qmmm_per_pot_type, qmmm_types_low::qmmm_pot_type
- mm_core_chrg : qmmm_types_low::add_shell_type
- mm_core_index : qmmm_types_low::add_shell_type
- mm_delta : eri_mme_types::eri_mme_param
- mm_el_pot_radius : qmmm_types_low::add_set_type, qmmm_types_low::add_shell_type, qmmm_types_low::qmmm_env_qm_type
- mm_el_pot_radius_corr : qmmm_types_low::add_set_type, qmmm_types_low::add_shell_type, qmmm_types_low::qmmm_env_qm_type
- mm_index : qmmm_types_low::qmmm_imomm_link_type
- mm_link_atoms : qmmm_types_low::qmmm_env_mm_type, qmmm_types_low::qmmm_env_qm_type
- mm_link_scale_factor : qmmm_types_low::qmmm_env_mm_type
- mm_radius : external_potential_types::fist_potential_type
- mm_storage : dbt_tas_types::dbt_tas_type
- mmatrix : neb_types::neb_var_type
- mmax : fft_tools::fft_scratch_sizes
- mme_section : cp_eri_mme_interface::cp_eri_mme_param
- mn_alpha : cp_control_types::stda_control_type
- mn_beta : cp_control_types::stda_control_type
- mo_coeff : qs_cdft_types::cdft_control_type, qs_linres_types::dcdr_env_type, qs_mo_types::mo_set_type
- mo_coeff_b : qs_mo_types::mo_set_type
- mo_conv : qs_scf_types::krylov_space_type
- mo_derivs : qs_environment_types::qs_environment_type
- mo_derivs_aux_fit : admm_types::admm_type
- mo_derivs_tmp : admm_types::admm_type
- mo_energies : almo_scf_types::almo_scf_env_type
- mo_indices : xas_tdp_types::donor_state_type
- mo_loc_history : qs_environment_types::qs_environment_type
- mo_mo_fm_pools : qs_matrix_pools::qs_matrix_pools_type
- mo_occ : ec_env_types::energy_correction_type
- mo_ref : cp_control_types::proj_mo_type
- mo_refine : qs_scf_types::krylov_space_type
- mo_set : qs_mo_types::mo_set_p_type
- mod_bessel : radial_type1_grid_t
- modefactor : pint_types::normalmode_env_type
- model : fist_nonbond_env_types::allegro_data_type, fist_nonbond_env_types::deepmd_data_type, fist_nonbond_env_types::nequip_data_type, qs_active_space_types::active_space_type
- model_grad_norm_ratio : almo_scf_types::optimizer_options_type
- models : pao_types::pao_env_type
- modified_bessel_tolerance : libgrpp_parameters_t
- mol : tmc_tree_types::tree_type
- mol_set_nmol_column : mc_types::mc_input_file_type
- mol_set_nmol_row : mc_types::mc_input_file_type
- mol_type : mc_types::mc_molecule_info_type
- molden_iao : iao_types::iao_env_type
- molden_ibo : iao_types::iao_env_type
- molecular_scf_guess_env : qs_environment_types::qs_environment_type
- molecular_states : qs_loc_types::qs_loc_env_type
- molecule : qs_active_space_types::active_space_type
- molecule_kind : molecule_types::molecule_type
- molecule_kinds : cp_subsys_types::cp_subsys_type
- molecule_list : molecule_kind_types::molecule_kind_type
- molecule_set : kg_environment_types::kg_environment_type
- molecules : cp_subsys_types::cp_subsys_type, mc_types::mc_averages_type
- molecules_check : topology_types::topology_parameters_type
- molecules_file : mc_types::mc_simpar_type
- molname_generated : molecule_kind_types::molecule_kind_type, topology_types::topology_parameters_type
- moloc_coeff : qs_loc_types::qs_loc_env_type
- mom_overlap : qs_scf_types::qs_scf_env_type
- mom_ref_mo_coeff : qs_scf_types::qs_scf_env_type
- mom_s_mo_coeff : qs_scf_types::qs_scf_env_type
- moments : qs_linres_types::dcdr_env_type, rt_bse_types::rtbse_env_type
- moments_der : qs_linres_types::vcd_env_type
- moments_der_left : qs_linres_types::vcd_env_type
- moments_der_right : qs_linres_types::vcd_env_type
- moments_field : rt_bse_types::rtbse_env_type
- moments_section : rt_bse_types::rtbse_env_type
- moments_trace : rt_bse_types::rtbse_env_type
- mominer : helium_types::helium_solvent_type
- momo_fm_struct : qs_linres_types::dcdr_env_type
- mos : kpoint_types::kpoint_env_type, qs_environment_types::qs_environment_type, rt_propagation_types::rt_prop_type
- mos_active : qs_active_space_types::active_space_type
- mos_aux_fit : admm_types::admm_type
- mos_inactive : qs_active_space_types::active_space_type
- mos_last_converged : qs_environment_types::qs_environment_type
- mos_occ : qs_tddfpt2_subgroups::tddfpt_subgroup_env_type, qs_tddfpt2_types::tddfpt_ground_state_mos
- mos_of_ex_atoms : xas_tdp_types::xas_tdp_env_type
- mos_of_frag : mscfg_types::molecular_scf_guess_env_type
- mos_virt : qs_tddfpt2_types::tddfpt_ground_state_mos
- mosub_mosub_fm_pools : qs_matrix_pools::qs_matrix_pools_type
- motion_print_section : neb_types::neb_type
- motion_row_end : mc_types::mc_input_file_type
- motion_row_start : mc_types::mc_input_file_type
- motion_section : gopt_f_types::gopt_f_type
- move_mm_charges : qmmm_types_low::qmmm_env_qm_type
- move_type : tmc_tree_types::tree_type
- move_types : tmc_types::tmc_param_type
- moves : mc_types::mc_moves_p_type
- moves_file : mc_types::mc_simpar_type
- mp2 : qs_energy_types::qs_energy_type
- mp2_env : qs_environment_types::qs_environment_type
- mp2_gpw : mp2_types::mp2_type
- mp2_memory : mp2_types::mp2_type
- mp2_non_sep : qs_force_types::qs_force_type
- mp2_num_proc : mp2_types::mp2_type
- mp_comm : dbt_tas_types::dbt_tas_split_info
- mp_comm_2d : dbt_types::dbt_pgrid_type
- mp_comm_group : dbt_tas_types::dbt_tas_split_info
- mp_dims : pexsi_types::lib_pexsi_env
- mp_gau : qs_rho0_types::rho0_mpole_type
- mp_group : arnoldi_types::arnoldi_control_type, pexsi_types::lib_pexsi_env
- mp_perf_env : f77_interface::f_env_type
- mp_perfs : mp_perf_env::mp_perf_env_type
- mp_rho : qs_rho0_types::rho0_mpole_type
- mpi2blacs : cp_blacs_env::cp_blacs_env_type
- mpi_comm_global : negf_subgroup_types::negf_subgroup_env_type
- mpi_request : submatrix_types::buffer_type, submatrix_types::intbuffer_type
- mpole : semi_empirical_mpole_types::semi_empirical_mpole_p_type
- mpools : kpoint_types::kpoint_type, qs_environment_types::qs_environment_type
- mpools_aux_fit : kpoint_types::kpoint_type
- mr : cp_ddapc_types::cp_ddapc_type
- ms : cp_ddapc_types::cp_ddapc_type
- msd : reftraj_types::reftraj_type
- msd_kind : reftraj_types::reftraj_msd_type
- msd_molecule : reftraj_types::reftraj_msd_type
- msd_region : reftraj_types::reftraj_msd_type
- msg : mp2_types::integ_mat_buffer_type, mp2_types::integ_mat_buffer_type_2d
- msg_req : mp2_types::integ_mat_buffer_type, mp2_types::integ_mat_buffer_type_2d
- mt : cp_ddapc_types::cp_ddapc_type
- mt_alpha : pw_poisson_types::greens_fn_type, pw_poisson_types::pw_poisson_parameter_type
- mt_rel_cutoff : pw_poisson_types::greens_fn_type, pw_poisson_types::pw_poisson_parameter_type
- mt_super_ref_pw_grid : pw_poisson_types::pw_poisson_type
- mtrx : cell_opt_types::cell_opt_env_type
- mu : almo_scf_types::almo_scf_env_type, qs_mo_types::mo_set_type
- mu_of_domain : almo_scf_types::almo_scf_env_type
- mu_spin : dm_ls_scf_types::ls_scf_env_type
- mulliken : qs_energy_types::qs_energy_type
- mulliken_restraint : cp_control_types::qs_control_type
- mulliken_restraint_control : cp_control_types::qs_control_type
- multi_time_switch : simpar_types::simpar_type
- multiple_potential : force_field_types::force_field_type, qmmm_types_low::qmmm_env_mm_type
- multiple_walkers : metadynamics_types::meta_env_type
- multiplicity : atom_types::atom_state, cp_control_types::dft_control_type, mixed_cdft_types::mixed_cdft_type, qs_active_space_types::active_space_type
- multiplicity_of_domain : almo_scf_types::almo_scf_env_type
- multipole : qmmm_types_low::qmmm_env_qm_type
- multipoles : cp_subsys_types::cp_subsys_type
- mv_cen_of_mass : tmc_types::tmc_param_type
- mv_conf : tmc_tree_types::global_tree_type
- mv_count : tmc_move_types::tmc_move_type
- mv_next_conf : tmc_tree_types::global_tree_type
- mv_size : tmc_move_types::tmc_move_type
- mv_weight : tmc_move_types::tmc_move_type
- mx1 : fft_tools::fft_scratch_sizes
- mx2 : fft_tools::fft_scratch_sizes
- mx3 : fft_tools::fft_scratch_sizes
- my1 : fft_tools::fft_scratch_sizes
- my2 : fft_tools::fft_scratch_sizes
- my3 : fft_tools::fft_scratch_sizes
- my_cg : qs_harmonics_atom::harmonics_atom_type
- my_cg_dxyz : qs_harmonics_atom::harmonics_atom_type
- my_cg_dxyz_asym : qs_harmonics_atom::harmonics_atom_type
- my_gto_basis : xas_env_types::xas_environment_type
- my_path : f77_interface::f_env_type
- my_pid : cp_blacs_env::cp_blacs_env_type
- my_pos : realspace_grid_types::realspace_grid_desc_type
- my_rank : dbm_dist_1d_t, dbm_distribution_t
- my_rep_group : replica_types::replica_env_type
- my_virtual_pos : realspace_grid_types::realspace_grid_desc_type
- myforce : nnp_environment_types::nnp_type
- mykind_of_atom : xas_env_types::xas_environment_type
- mykind_of_kind : xas_env_types::xas_environment_type
- myproc : arnoldi_types::arnoldi_control_type
- myrank : submatrix_dissection::submatrix_dissection_type
- mz1 : fft_tools::fft_scratch_sizes
- mz2 : fft_tools::fft_scratch_sizes
- mz3 : fft_tools::fft_scratch_sizes