| add_xc_functional(std::string name__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| atoms_to_grid_idx_ | sirius::Simulation_context | private |
| atoms_to_grid_idx_map(int ia__) const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| augmentation_op(int iat__) const | sirius::Simulation_context | inline |
| augmentation_op(int iat__) (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| augmentation_op_ | sirius::Simulation_context | private |
| auto_rmt() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| aw_cutoff() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| aw_cutoff(double aw_cutoff__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| band_occ_callback() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| blacs_grid() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| blacs_grid_ | sirius::Simulation_context | private |
| cb() (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| cb() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| cb_ | sirius::Simulation_context | private |
| cfg() (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| cfg() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| cfg_ | sirius::Simulation_parameters | private |
| comm() const | sirius::Simulation_context | inline |
| comm_ | sirius::Simulation_context | private |
| comm_band() const | sirius::Simulation_context | inline |
| comm_band_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| comm_band_ortho_fft_coarse() const | sirius::Simulation_context | inline |
| comm_fft() const | sirius::Simulation_context | inline |
| comm_fft_coarse() const | sirius::Simulation_context | inline |
| comm_k() const | sirius::Simulation_context | inline |
| comm_k_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| comm_ortho_fft() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| comm_ortho_fft_coarse() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| comm_ortho_fft_coarse_ | sirius::Simulation_context | private |
| core_relativity(std::string name__) | sirius::Simulation_parameters | |
| core_relativity() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| core_relativity_ | sirius::Simulation_parameters | protected |
| create_storage_file(std::string name__) const (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| cyclic_block_size() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| electronic_structure_method(std::string name__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | |
| electronic_structure_method() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| electronic_structure_method_ | sirius::Simulation_parameters | protected |
| empty_states_tolerance(double tolerance__) | sirius::Simulation_parameters | inline |
| evp_work_count(double w__=0) const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| evp_work_count_ (defined in sirius::Simulation_context) | sirius::Simulation_context | mutableprivate |
| ewald_lambda() const | sirius::Simulation_context | |
| fft_coarse_grid() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| fft_coarse_grid_ | sirius::Simulation_context | private |
| fft_grid() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| fft_grid_ | sirius::Simulation_context | private |
| fft_grid_size(std::array< int, 3 > fft_grid_size__) | sirius::Simulation_context | inline |
| full_potential() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| gamma_point(bool gamma_point__) | sirius::Simulation_parameters | inline |
| gamma_point() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| gen_evp_solver() (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| gen_evp_solver() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| gen_evp_solver_ | sirius::Simulation_context | private |
| gen_evp_solver_name() const | sirius::Simulation_parameters | inline |
| gen_evp_solver_name(std::string name__) | sirius::Simulation_parameters | inline |
| generate_phase_factors(int iat__, sddk::mdarray< std::complex< double >, 2 > &phase_factors__) const | sirius::Simulation_context | |
| gk_cutoff() const | sirius::Simulation_parameters | inline |
| gk_cutoff(double gk_cutoff__) | sirius::Simulation_parameters | inline |
| gvec() const | sirius::Simulation_context | inline |
| gvec_ | sirius::Simulation_context | private |
| gvec_coarse() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| gvec_coarse_ | sirius::Simulation_context | private |
| gvec_coarse_fft_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| gvec_coarse_fft_sptr() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| gvec_coarse_sptr() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| gvec_coord() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| gvec_coord_ | sirius::Simulation_context | private |
| gvec_fft() const | sirius::Simulation_context | inline |
| gvec_fft_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| gvec_fft_sptr() const | sirius::Simulation_context | inline |
| gvec_phase_factor(r3::vector< int > G__, int ia__) const | sirius::Simulation_context | inline |
| gvec_phase_factor(int ig__, int ia__) const | sirius::Simulation_context | inline |
| gvec_sptr() const | sirius::Simulation_context | inline |
| host_memory_t() const | sirius::Simulation_context | inline |
| host_memory_t_ | sirius::Simulation_context | private |
| hubbard_correction() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| import(std::string const &str__) | sirius::Simulation_parameters | |
| import(nlohmann::json const &dict__) | sirius::Simulation_parameters | |
| import(cmd_args const &args__) | sirius::Simulation_parameters | |
| init_atoms_to_grid_idx(double R__) | sirius::Simulation_context | private |
| init_comm() | sirius::Simulation_context | private |
| init_common() | sirius::Simulation_context | inlineprivate |
| init_fft_grid() | sirius::Simulation_context | private |
| initialize() | sirius::Simulation_context | |
| initialized() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| initialized_ | sirius::Simulation_context | private |
| iterative_solver_type(std::string type__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| lattice_vectors0_ | sirius::Simulation_context | private |
| lmax_apw(int lmax_apw__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| lmax_pot(int lmax_pot__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| lmax_pot() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| lmax_rho(int lmax_rho__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| lmax_rho() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| lmmax_pot() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| lmmax_rho() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| max_occupancy() const | sirius::Simulation_parameters | inline |
| message(int level__, char const *label__, std::stringstream const &s) const | sirius::Simulation_context | inline |
| min_occupancy() const | sirius::Simulation_parameters | inline |
| min_occupancy(double val__) | sirius::Simulation_parameters | inline |
| molecule(bool molecule__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| molecule() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| mpi_grid_ | sirius::Simulation_context | private |
| mpi_grid_dims(std::vector< int > mpi_grid_dims__) | sirius::Simulation_parameters | inline |
| mpi_grid_dims() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| need_sv() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| num_bands(int num_bands__) | sirius::Simulation_parameters | inline |
| num_bands() const | sirius::Simulation_parameters | inline |
| num_fv_states(int num_fv_states__) | sirius::Simulation_parameters | inline |
| num_fv_states() const | sirius::Simulation_parameters | inline |
| num_itsol_steps(int n=0) const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| num_itsol_steps_ | sirius::Simulation_context | mutableprivate |
| num_loc_op_applied(int n=0) const | sirius::Simulation_context | inline |
| num_loc_op_applied_ (defined in sirius::Simulation_context) | sirius::Simulation_context | mutableprivate |
| num_mag_comp() const | sirius::Simulation_parameters | inline |
| num_mag_dims() const | sirius::Simulation_parameters | inline |
| num_spinor_comp() const | sirius::Simulation_parameters | inline |
| num_spinors() const | sirius::Simulation_parameters | inline |
| num_spins() const | sirius::Simulation_parameters | inline |
| omega0_ | sirius::Simulation_context | private |
| out() const | sirius::Simulation_context | inline |
| out(int level__) const | sirius::Simulation_context | inline |
| out(int level__, const char *label__) const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| output_file_stream_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| output_stream_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| periodic_function_ptr(std::string label__) const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| pf_ext_ptr | sirius::Simulation_context | private |
| phase_factors_ | sirius::Simulation_context | private |
| phase_factors_t(int igloc__, int iat__) const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| phase_factors_t() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| phase_factors_t_ | sirius::Simulation_context | private |
| print_info(std::ostream &out__) const (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| processing_unit(std::string name__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | |
| processing_unit() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| processing_unit_ | sirius::Simulation_parameters | protected |
| processing_unit_memory_t() const | sirius::Simulation_context | inline |
| pw_cutoff() const | sirius::Simulation_parameters | inline |
| pw_cutoff(double pw_cutoff__) | sirius::Simulation_parameters | inline |
| remap_gvec() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| remap_gvec_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| ri() (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| ri() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| ri_ | sirius::Simulation_context | private |
| rmt_max() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| serialize() | sirius::Simulation_context | inline |
| set_auto_rmt(int auto_rmt__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| set_hubbard_correction(bool hubbard_correction__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| set_num_mag_dims(int num_mag_dims__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| set_periodic_function_ptr(std::string label__, periodic_function_ptr_t< double > ptr__) (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| sht_coverage(int sht_coverage__) | sirius::Simulation_parameters | inline |
| Simulation_context(Simulation_context const &)=delete (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| Simulation_context(mpi::Communicator const &comm__=mpi::Communicator::world()) | sirius::Simulation_context | inline |
| Simulation_context(mpi::Communicator const &comm__, mpi::Communicator const &comm_k__, mpi::Communicator const &comm_band__) (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| Simulation_context(std::string const &str__) | sirius::Simulation_context | inline |
| Simulation_context(nlohmann::json const &dict__) (defined in sirius::Simulation_context) | sirius::Simulation_context | inlineexplicit |
| Simulation_context(std::string const &str__, mpi::Communicator const &comm__) (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| Simulation_parameters(Simulation_parameters const &)=delete (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | protected |
| Simulation_parameters() (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| smearing(std::string name__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | |
| smearing() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| smearing_ | sirius::Simulation_parameters | protected |
| smearing_width() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| smearing_width(double smearing_width__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| so_correction() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| so_correction(bool so_correction__) (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| spfft() (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft() const (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft() (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft() const (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft_coarse() (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft_coarse() const (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft_coarse() (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft_coarse() const (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft_grid_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| spfft_grid_coarse() (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft_grid_coarse() (defined in sirius::Simulation_context) | sirius::Simulation_context | |
| spfft_grid_coarse_ (defined in sirius::Simulation_context) | sirius::Simulation_context | private |
| spfft_transform_ | sirius::Simulation_context | private |
| spfft_transform_coarse_ | sirius::Simulation_context | private |
| spglib_tolerance() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| spla_context() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| spla_context() (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| spla_ctx_ | sirius::Simulation_context | private |
| start_time_ | sirius::Simulation_context | private |
| start_time_tag() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| start_time_tag_ | sirius::Simulation_context | private |
| std_evp_solver() (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| std_evp_solver() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| std_evp_solver_ | sirius::Simulation_context | private |
| std_evp_solver_name() const | sirius::Simulation_parameters | inline |
| std_evp_solver_name(std::string name__) | sirius::Simulation_parameters | inline |
| sym_phase_factors() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| sym_phase_factors_ | sirius::Simulation_context | private |
| theta(int ir__) const | sirius::Simulation_context | inline |
| theta_ | sirius::Simulation_context | private |
| theta_pw(int ig__) const | sirius::Simulation_context | inline |
| unit_cell() (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| unit_cell() const | sirius::Simulation_context | inline |
| unit_cell_ | sirius::Simulation_context | private |
| update() | sirius::Simulation_context | |
| use_symmetry() const | sirius::Simulation_parameters | inline |
| use_symmetry(bool use_symmetry__) | sirius::Simulation_parameters | inline |
| valence_relativity(std::string name__) | sirius::Simulation_parameters | |
| valence_relativity() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| valence_relativity_ | sirius::Simulation_parameters | protected |
| veff_callback() const (defined in sirius::Simulation_context) | sirius::Simulation_context | inline |
| verbosity() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| verbosity(int level__) | sirius::Simulation_parameters | inline |
| xc_functionals() const (defined in sirius::Simulation_parameters) | sirius::Simulation_parameters | inline |
| ~Simulation_context() | sirius::Simulation_context | inline |
