Toggle Light / Dark / Auto color theme Toggle table of contents sidebar Index A | B | C | D | E | F | G | H | I | L | M | N | O | P | R | S | T | U | V | W A add_node() (espei.optimizers.graph.OptGraph method) apply_tags() (in module espei.datasets) B bib_marker_map() (in module espei.utils) build_candidate_models() (in module espei.parameter_selection.model_building) build_eqpropdata() (in module espei.error_functions.equilibrium_thermochemical_error) build_feature_sets() (in module espei.parameter_selection.model_building) build_prior_specs() (in module espei.priors) build_sitefractions() (in module espei.utils) C calc_interaction_product() (in module espei.parameter_selection.redlich_kister) calc_prop_differences() (in module espei.error_functions.equilibrium_thermochemical_error) calculate_() (in module espei.shadow_functions) calculate_activity_error() (in module espei.error_functions.activity_error) calculate_equilibrium_thermochemical_probability() (in module espei.error_functions.equilibrium_thermochemical_error) calculate_non_equilibrium_thermochemical_probability() (in module espei.error_functions.non_equilibrium_thermochemical_error) calculate_points_array() (in module espei.error_functions.non_equilibrium_thermochemical_error) calculate_zpf_driving_forces() (in module espei.error_functions.zpf_error) calculate_zpf_error() (in module espei.error_functions.zpf_error) canonical_sort_key() (in module espei.sublattice_tools) canonicalize() (in module espei.sublattice_tools) check_dataset() (in module espei.datasets) chempot_error() (in module espei.error_functions.activity_error) children (espei.optimizers.graph.OptNode attribute) clean_dataset() (in module espei.datasets) commit() (espei.optimizers.opt_base.OptimizerBase method) comp_conds (espei.error_functions.zpf_error.RegionVertex attribute) composition (espei.error_functions.zpf_error.RegionVertex attribute) composition_conds (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) config_logger() (in module espei.logger) constrained_equilibrium() (in module espei.shadow_functions) D database_symbols_to_fit() (in module espei.utils) dataplot() (in module espei.plot) DatasetError datasets (espei.optimizers.graph.OptNode attribute) dbf (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) discard() (espei.optimizers.opt_base.OptimizerBase method) DistributionParameter (class in espei.priors) do_sampling() (espei.optimizers.opt_mcmc.EmceeOptimizer method) driving_force_to_hyperplane() (in module espei.error_functions.zpf_error) E EmceeOptimizer (class in espei.optimizers.opt_mcmc) endmembers_from_interaction() (in module espei.sublattice_tools) eq_str() (espei.error_functions.zpf_error.PhaseRegion method) eqdataplot() (in module espei.plot) EqPropData (class in espei.error_functions.equilibrium_thermochemical_error) equilibrium_() (in module espei.shadow_functions) espei module espei.analysis module espei.citing module espei.core_utils module espei.database_utils module espei.datasets module espei.error_functions module espei.error_functions.activity_error module espei.error_functions.context module espei.error_functions.equilibrium_thermochemical_error module espei.error_functions.non_equilibrium_thermochemical_error module espei.error_functions.zpf_error module espei.espei_script module espei.logger module espei.optimizers module espei.optimizers.graph module espei.optimizers.opt_base module espei.optimizers.opt_mcmc module espei.optimizers.opt_scipy module espei.optimizers.utils module espei.parameter_selection module espei.parameter_selection.model_building module espei.parameter_selection.redlich_kister module espei.parameter_selection.selection module espei.parameter_selection.utils module espei.paramselect module espei.plot module espei.priors module espei.refdata module espei.rstate module espei.shadow_functions module espei.sublattice_tools module espei.utils module espei.validation module ESPEILogger (class in espei.logger) estimate_hyperplane() (in module espei.error_functions.zpf_error) extract_aliases() (in module espei.utils) F filter_configurations() (in module espei.core_utils) filter_temperatures() (in module espei.core_utils) find_and_insert_user_refstate() (in module espei.refdata) fit() (espei.optimizers.opt_base.OptimizerBase method) fit_formation_energy() (in module espei.paramselect) fit_model() (in module espei.parameter_selection.selection) fit_ternary_interactions() (in module espei.paramselect) formatted_constituent_array() (in module espei.utils) formatted_parameter() (in module espei.utils) G generate_endmembers() (in module espei.sublattice_tools) generate_interactions() (in module espei.sublattice_tools) generate_parameters() (in module espei.paramselect) generate_symmetric_group() (in module espei.sublattice_tools) get_data_quantities() (in module espei.parameter_selection.utils) get_equilibrium_thermochemical_data() (in module espei.error_functions.equilibrium_thermochemical_error) get_model_dict() (in module espei.utils) get_next_symbol() (in module espei.paramselect) get_path_to_node() (espei.optimizers.graph.OptGraph static method) get_prior() (espei.priors.PriorSpec method) get_priors() (espei.optimizers.opt_mcmc.EmceeOptimizer static method) get_prop_data() (in module espei.core_utils) get_prop_samples() (in module espei.error_functions.non_equilibrium_thermochemical_error) get_run_settings() (in module espei.espei_script) get_thermochemical_data() (in module espei.error_functions.non_equilibrium_thermochemical_error) get_transformation_dict() (espei.optimizers.graph.OptGraph method) get_zpf_data() (in module espei.error_functions.zpf_error) H has_missing_comp_cond (espei.error_functions.zpf_error.RegionVertex attribute) I id (espei.optimizers.graph.OptNode attribute) ImmediateClient (class in espei.utils) import_qualified_object() (in module espei.utils) initialize_chains_from_trace() (espei.optimizers.opt_mcmc.EmceeOptimizer static method) initialize_database() (in module espei.database_utils) initialize_new_chains() (espei.optimizers.opt_mcmc.EmceeOptimizer static method) interaction_test() (in module espei.sublattice_tools) is_disordered (espei.error_functions.zpf_error.RegionVertex attribute) L load_datasets() (in module espei.datasets) log_version_info() (in module espei.espei_script) logpdf() (espei.priors.rv_zero method) M main() (in module espei.espei_script) make_successive() (in module espei.parameter_selection.model_building) map() (espei.utils.ImmediateClient method) models (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) (espei.error_functions.zpf_error.PhaseRegion attribute) module espei espei.analysis espei.citing espei.core_utils espei.database_utils espei.datasets espei.error_functions espei.error_functions.activity_error espei.error_functions.context espei.error_functions.equilibrium_thermochemical_error espei.error_functions.non_equilibrium_thermochemical_error espei.error_functions.zpf_error espei.espei_script espei.logger espei.optimizers espei.optimizers.graph espei.optimizers.opt_base espei.optimizers.opt_mcmc espei.optimizers.opt_scipy espei.optimizers.utils espei.parameter_selection espei.parameter_selection.model_building espei.parameter_selection.redlich_kister espei.parameter_selection.selection espei.parameter_selection.utils espei.paramselect espei.plot espei.priors espei.refdata espei.rstate espei.shadow_functions espei.sublattice_tools espei.utils espei.validation multiplot() (in module espei.plot) N no_op_equilibrium_() (in module espei.shadow_functions) O OptGraph (class in espei.optimizers.graph) optimal_parameters() (in module espei.utils) OptimizerBase (class in espei.optimizers.opt_base) OptimizerError OptNode (class in espei.optimizers.graph) output (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) P parameter_term() (in module espei.utils) parameters (espei.optimizers.graph.OptNode attribute) params_keys (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) parent (espei.optimizers.graph.OptNode attribute) phase_fit() (in module espei.paramselect) phase_name (espei.error_functions.zpf_error.RegionVertex attribute) phase_records (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) (espei.error_functions.zpf_error.RegionVertex attribute) PhaseRegion (class in espei.error_functions.zpf_error) phases (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) (espei.error_functions.zpf_error.PhaseRegion attribute) PickleableTinyDB (class in espei.utils) plot_endmember() (in module espei.plot) plot_interaction() (in module espei.plot) plot_parameters() (in module espei.plot) points (espei.error_functions.zpf_error.RegionVertex attribute) potential_conds (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) (espei.error_functions.zpf_error.PhaseRegion attribute) predict() (espei.optimizers.opt_base.OptimizerBase static method) (espei.optimizers.opt_mcmc.EmceeOptimizer static method) (espei.optimizers.opt_scipy.SciPyOptimizer static method) PriorSpec (class in espei.priors) probfile (espei.optimizers.opt_mcmc.EmceeOptimizer attribute) R ravel_conditions() (in module espei.core_utils) ravel_zpf_values() (in module espei.core_utils) recursive_glob() (in module espei.datasets) recursive_map() (in module espei.datasets) recursive_tuplify() (in module espei.sublattice_tools) reference (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) RegionVertex (class in espei.error_functions.zpf_error) reset_database() (espei.optimizers.opt_base.OptimizerBase method) run_espei() (in module espei.espei_script) rv_zero (class in espei.priors) S samples (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) save_interval (espei.optimizers.opt_mcmc.EmceeOptimizer attribute) save_sampler_state() (espei.optimizers.opt_mcmc.EmceeOptimizer method) scheduler (espei.optimizers.opt_mcmc.EmceeOptimizer attribute) SciPyOptimizer (class in espei.optimizers.opt_scipy) score_model() (in module espei.parameter_selection.selection) select_model() (in module espei.parameter_selection.selection) setup_context() (in module espei.error_functions.context) shift_reference_state() (in module espei.parameter_selection.utils) sigfigs() (in module espei.utils) sorted_interactions() (in module espei.sublattice_tools) species (espei.error_functions.equilibrium_thermochemical_error.EqPropData property) (espei.error_functions.zpf_error.PhaseRegion attribute) SUPPORTED_PRIORS (espei.priors.PriorSpec attribute) SUPPORTED_TYPES (espei.priors.DistributionParameter attribute) symmetry_filter() (in module espei.core_utils) T target_chempots_from_activity() (in module espei.error_functions.activity_error) TRACE (espei.logger.ESPEILogger attribute) trace() (espei.logger.ESPEILogger method) tracefile (espei.optimizers.opt_mcmc.EmceeOptimizer attribute) truncate_arrays() (in module espei.analysis) tuplify() (in module espei.sublattice_tools) U unpack_piecewise() (in module espei.utils) update_phase_record_parameters() (in module espei.shadow_functions) V value() (espei.priors.DistributionParameter method) vertices (espei.error_functions.zpf_error.PhaseRegion attribute) W weight (espei.error_functions.equilibrium_thermochemical_error.EqPropData property)