Refactor(input model): create the input

source/module_io/CMakeLists.txt

@@ -25,6 +25,7 @@ list(APPEND objects
     output_log.cpp
     output_rho.cpp
     output_potential.cpp
+    parameter_pool.cpp
 )
 
 list(APPEND objects_advanced

source/module_io/DEFAULT_TYPE.conf

@@ -0,0 +1,308 @@
+suffix string
+stru_file string
+pseudo_dir string
+orbital_dir string
+read_file_dir string
+kpoint_file string
+wannier_card string
+latname string
+calculation string
+esolver_type string
+pseudo_rcut double
+pseudo_mesh bool
+ntype int
+nbands int
+nbands_istate int
+pw_seed int
+init_vel bool
+ref_cell_factor double
+symmetry int
+symmetry_prec double
+kpar int
+berry_phase bool
+gdir int
+kspacing[3] double
+min_dist_coef double
+towannier90 bool
+nnkpfile string
+wannier_spin string
+nche_sto int
+nbands_sto int
+nbndsto_str string
+seed_sto int
+emax_sto double
+emin_sto double
+bndpar int
+initsto_freq int
+method_sto int
+npart_sto int
+cal_cond bool
+cond_nche int
+cond_dw double
+cond_wcut double
+cond_dt int
+cond_dtbatch int
+cond_fwhm double
+cond_nonlocal bool
+dft_functional string
+xc_temperature double
+nspin int
+nupdown double
+nelec double
+lmaxmax int
+basis_type string
+ks_solver string
+cal_force bool
+force_thr double
+force_thr_ev2 double
+stress_thr double
+press1 double
+press2 double
+press3 double
+cal_stress bool
+fixed_axes string
+fixed_ibrav bool
+fixed_atoms bool
+relax_method string
+relax_new bool
+relax_cg_thr double
+relax_bfgs_w1 double
+relax_bfgs_w2 double
+relax_bfgs_rmax double
+relax_bfgs_rmin double
+relax_bfgs_init double
+relax_scale_force double
+gamma_only bool
+gamma_only_local bool
+ecutwfc double
+ecutrho double
+ncx int
+ncy int
+ncz int
+nx int
+ny int
+nz int
+bx int
+by int
+bz int
+diago_proc int
+pw_diag_nmax int
+diago_cg_prec int
+pw_diag_ndim int
+pw_diag_thr double
+nb2d int
+nurse int
+nbspline int
+colour bool
+t_in_h bool
+vl_in_h bool
+vnl_in_h bool
+vh_in_h bool
+vion_in_h bool
+test_force bool
+test_stress bool
+scf_thr double
+scf_thr_type int
+scf_nmax int
+relax_nmax int
+out_stru bool
+out_level string
+out_md_control bool
+occupations string
+smearing_method string
+smearing_sigma double
+mixing_mode string
+mixing_beta double
+mixing_ndim int
+mixing_gg0 double
+mixing_tau bool
+mixing_dftu bool
+init_wfc string
+init_chg string
+chg_extrap string
+mem_saver int
+printe int
+out_freq_elec int
+out_freq_ion int
+out_chg bool
+out_dm bool
+out_dm1 bool
+out_pot int
+out_wfc_pw int
+out_wfc_r bool
+out_dos bool
+out_band bool
+out_proj_band bool
+out_mat_hs bool
+cal_syns bool
+dmax double
+out_mat_hs2 bool
+out_mat_dh bool
+out_interval int
+out_app_flag bool
+out_mat_t bool
+out_mat_r bool
+out_wfc_lcao bool
+out_alllog bool
+out_element_info bool
+out_bandgap bool
+dos_emin_ev double
+dos_emax_ev double
+dos_edelta_ev double
+dos_scale double
+dos_nche int
+dos_set
+emin bool
+dos_setemax bool
+dos_sigma double
+lcao_ecut double
+lcao_dk double
+lcao_dr double
+lcao_rmax double
+search_radius double
+search_pbc bool
+mdp MD_para
+efield_flag bool
+dip_cor_flag bool
+efield_dir int
+efield_pos_max double
+efield_pos_dec double
+efield_amp double
+gate_flag bool
+zgate double
+relax bool
+block bool
+block_down double
+block_up double
+block_height double
+vdw_method string
+vdw_s6 string
+vdw_s8 string
+vdw_a1 string
+vdw_a2 string
+vdw_d double
+vdw_abc bool
+vdw_cutoff_radius string
+vdw_radius_unit string
+vdw_cn_thr double
+vdw_cn_thr_unit string
+vdw_C6_file string
+vdw_C6_unit string
+vdw_R0_file string
+vdw_R0_unit string
+vdw_cutoff_type string
+vdw_cutoff_period ModuleBase::Vector3<int>
+ocp bool
+ocp_set string
+out_mul bool
+noncolin bool
+lspinorb bool
+soc_lambda double
+exx_hybrid_alpha string
+exx_hse_omega double
+exx_separate_loop bool
+exx_hybrid_step int
+exx_mixing_beta double
+exx_lambda double
+exx_real_number string
+exx_pca_threshold double
+exx_c_threshold double
+exx_v_threshold double
+exx_dm_threshold double
+exx_schwarz_threshold double
+exx_cauchy_threshold double
+exx_c_grad_threshold double
+exx_v_grad_threshold double
+exx_cauchy_force_threshold double
+exx_cauchy_stress_threshold double
+exx_ccp_threshold double
+exx_ccp_rmesh_times string
+exx_distribute_type string
+exx_opt_orb_lmax int
+exx_opt_orb_ecut double
+exx_opt_orb_tolerence double
+td_force_dt double
+td_vext bool
+td_vext_dire string
+out_dipole bool
+out_efield bool
+td_print_eij double
+td_edm int
+propagator int
+td_stype int
+td_ttype string
+td_tstart int
+td_tend int
+td_lcut1 double
+td_lcut2 double
+td_gauss_freq string
+td_gauss_phase string
+td_gauss_sigma string
+td_gauss_t0 string
+td_gauss_amp string
+td_trape_freq string
+td_trape_phase string
+td_trape_t1 string
+td_trape_t2 string
+td_trape_t3 string
+td_trape_amp string
+td_trigo_freq1 string
+td_trigo_freq2 string
+td_trigo_phase1 string
+td_trigo_phase2 string
+td_trigo_amp string
+td_heavi_t0 string
+td_heavi_amp string
+restart_save bool
+restart_load bool
+input_error bool
+cell_factor double
+dft_plus_u bool
+orbital_corr int*
+hubbard_u double*
+omc int
+yukawa_potential bool
+yukawa_lambda double
+dft_plus_dmft bool
+rpa bool
+coulomb_type std::string
+deepks_out_labels bool
+deepks_scf bool
+deepks_bandgap bool
+deepks_out_unittest bool
+deepks_model string
+imp_sol bool
+eb_k double
+tau double
+sigma_k double
+nc_k double
+of_kinetic string
+of_method string
+of_conv string
+of_tole double
+of_tolp double
+of_tf_weight double
+of_vw_weight double
+of_wt_alpha double
+of_wt_beta double
+of_wt_rho0 double
+of_hold_rho0 bool
+of_lkt_a double
+of_full_pw bool
+of_full_pw_dim int
+of_read_kernel bool
+of_kernel_file string
+bessel_nao_smooth bool
+bessel_nao_sigma double
+bessel_nao_ecut string
+bessel_nao_rcut double
+bessel_nao_tolerence double
+bessel_descriptor_lmax int
+bessel_descriptor_smooth bool
+bessel_descriptor_sigma double
+bessel_descriptor_ecut string
+bessel_descriptor_rcut double
+bessel_descriptor_tolerence double
+device std::string
+precision std::string
+test_skip_ewald bool