Index A | B | C | D | E | F | G | H | I | L | M | N | O | P | R | S | T | U | V | W | Z A AbstractLinearPropertyStep (class in espei.parameter_selection.fitting_steps) ActivityResidual (class in espei.error_functions.activity_error) 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_prior_specs() (in module espei.priors) build_redlich_kister_candidate_models() (in module espei.parameter_selection.model_building) 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_activity_residuals() (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) clean_dataset() (in module espei.datasets) comp_conds (espei.error_functions.zpf_error.RegionVertex attribute) components (espei.phase_models.PhaseModelSpecification attribute) composition (espei.error_functions.zpf_error.RegionVertex attribute) composition_conds (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute) compute_fixed_configuration_property_differences() (in module espei.error_functions.non_equilibrium_thermochemical_error) config_logger() (in module espei.logger) constrained_equilibrium() (in module espei.shadow_functions) D data_types_read (espei.parameter_selection.fitting_steps.FittingStep attribute) (espei.parameter_selection.fitting_steps.StepCPM attribute) (espei.parameter_selection.fitting_steps.StepHM attribute) (espei.parameter_selection.fitting_steps.StepLogVA attribute) (espei.parameter_selection.fitting_steps.StepSM attribute) (espei.parameter_selection.fitting_steps.StepV0 attribute) database_symbols_to_fit() (in module espei.utils) dataplot() (in module espei.plot) DatasetError dbf (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute) 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) EquilibriumPropertyResidual (class in espei.error_functions.equilibrium_thermochemical_error) ErrorModel (class in espei.utils) 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.residual_base module espei.error_functions.zpf_error module espei.espei_script module espei.logger module espei.optimizers 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.fitting_descriptions module espei.parameter_selection.fitting_steps module espei.parameter_selection.model_building module espei.parameter_selection.redlich_kister module espei.parameter_selection.selection module espei.paramselect module espei.phase_models module espei.plot module espei.priors module espei.refdata module espei.rstate module espei.shadow_functions module espei.sublattice_tools module espei.typing 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 features (espei.parameter_selection.fitting_steps.AbstractLinearPropertyStep attribute) (espei.parameter_selection.fitting_steps.FittingStep attribute) (espei.parameter_selection.fitting_steps.StepCPM attribute) (espei.parameter_selection.fitting_steps.StepHM attribute) (espei.parameter_selection.fitting_steps.StepLogVA attribute) (espei.parameter_selection.fitting_steps.StepSM attribute) (espei.parameter_selection.fitting_steps.StepV0 attribute) filter_configurations() (in module espei.core_utils) filter_sublattice_configurations() (in module espei.error_functions.non_equilibrium_thermochemical_error) filter_temperatures() (in module espei.core_utils) find_and_insert_user_refstate() (in module espei.refdata) fit() (espei.optimizers.opt_base.OptimizerBase method) fit_model() (in module espei.parameter_selection.selection) fit_parameters() (in module espei.paramselect) fitting_steps (espei.parameter_selection.fitting_descriptions.ModelFittingDescription attribute) FittingStep (class in espei.parameter_selection.fitting_steps) FixedConfigurationPropertyResidual (class in espei.error_functions.non_equilibrium_thermochemical_error) 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_equilibrium_thermochemical_data() (in module espei.error_functions.equilibrium_thermochemical_error) get_feature_sets() (espei.parameter_selection.fitting_steps.FittingStep class method) (espei.parameter_selection.fitting_steps.StepLogVA class method) get_likelihood() (espei.error_functions.activity_error.ActivityResidual method) (espei.error_functions.equilibrium_thermochemical_error.EquilibriumPropertyResidual method) (espei.error_functions.non_equilibrium_thermochemical_error.FixedConfigurationPropertyResidual method) (espei.error_functions.residual_base.ResidualFunction method) (espei.error_functions.zpf_error.ZPFResidual method) get_model_dict() (espei.phase_models.PhaseModelSpecification method) (in module espei.utils) get_next_symbol() (in module espei.paramselect) 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_registered_residual_functions() (espei.error_functions.residual_base.ResidualRegistry method) get_residuals() (espei.error_functions.activity_error.ActivityResidual method) (espei.error_functions.equilibrium_thermochemical_error.EquilibriumPropertyResidual method) (espei.error_functions.non_equilibrium_thermochemical_error.FixedConfigurationPropertyResidual method) (espei.error_functions.residual_base.ResidualFunction method) (espei.error_functions.zpf_error.ZPFResidual method) get_response_vector() (espei.parameter_selection.fitting_steps.AbstractLinearPropertyStep class method) (espei.parameter_selection.fitting_steps.FittingStep class method) (espei.parameter_selection.fitting_steps.StepHM class method) get_run_settings() (in module espei.espei_script) get_sample_condition_dicts() (in module espei.error_functions.non_equilibrium_thermochemical_error) get_thermochemical_data() (in module espei.error_functions.non_equilibrium_thermochemical_error) get_zpf_data() (in module espei.error_functions.zpf_error) H has_missing_comp_cond (espei.error_functions.zpf_error.RegionVertex attribute) has_symbol() (in module espei.paramselect) hyperplane_vertices (espei.error_functions.zpf_error.PhaseRegion attribute) I 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) insert_parameter() (in module espei.paramselect) 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) model (espei.parameter_selection.fitting_descriptions.ModelFittingDescription attribute) (espei.phase_models.ModelMetadata attribute) model_computed_fields (espei.phase_models.ModelMetadata attribute) (espei.phase_models.PhaseModelSpecification attribute) model_config (espei.phase_models.ModelMetadata attribute) (espei.phase_models.PhaseModelSpecification attribute) model_fields (espei.phase_models.ModelMetadata attribute) (espei.phase_models.PhaseModelSpecification attribute) ModelFittingDescription (class in espei.parameter_selection.fitting_descriptions) ModelMetadata (class in espei.phase_models) models (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute) (espei.error_functions.zpf_error.PhaseRegion attribute) ModelTestException 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.residual_base espei.error_functions.zpf_error espei.espei_script espei.logger espei.optimizers espei.optimizers.opt_base espei.optimizers.opt_mcmc espei.optimizers.opt_scipy espei.optimizers.utils espei.parameter_selection espei.parameter_selection.fitting_descriptions espei.parameter_selection.fitting_steps espei.parameter_selection.model_building espei.parameter_selection.redlich_kister espei.parameter_selection.selection espei.paramselect espei.phase_models espei.plot espei.priors espei.refdata espei.rstate espei.shadow_functions espei.sublattice_tools espei.typing espei.utils espei.validation multiplot() (in module espei.plot) N no_op_equilibrium_() (in module espei.shadow_functions) normalize_parameter_per_mole_formula (espei.parameter_selection.fitting_steps.AbstractLinearPropertyStep attribute) (espei.parameter_selection.fitting_steps.StepLogVA attribute) O optimal_parameters() (in module espei.utils) OptimizerBase (class in espei.optimizers.opt_base) OptimizerError output (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute) P parameter_name (espei.parameter_selection.fitting_steps.FittingStep attribute) (espei.parameter_selection.fitting_steps.StepHM attribute) (espei.parameter_selection.fitting_steps.StepLogVA attribute) (espei.parameter_selection.fitting_steps.StepV0 attribute) parameter_term() (in module espei.utils) params_keys (espei.error_functions.equilibrium_thermochemical_error.EqPropData 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 attribute) (espei.error_functions.zpf_error.RegionVertex attribute) PhaseModelSpecification (class in espei.phase_models) PhaseRegion (class in espei.error_functions.zpf_error) phases (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute) (espei.error_functions.zpf_error.PhaseRegion attribute) (espei.phase_models.PhaseModelSpecification 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 attribute) (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 attribute) RegionVertex (class in espei.error_functions.zpf_error) register() (espei.error_functions.residual_base.ResidualRegistry method) ResidualFunction (class in espei.error_functions.residual_base) ResidualRegistry (class in espei.error_functions.residual_base) run_espei() (in module espei.espei_script) rv_zero (class in espei.priors) S samples (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute) 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() (espei.parameter_selection.fitting_steps.AbstractLinearPropertyStep class method) (espei.parameter_selection.fitting_steps.StepHM class method) sigfigs() (in module espei.utils) sorted_interactions() (in module espei.sublattice_tools) species (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute) (espei.error_functions.zpf_error.PhaseRegion attribute) StepCPM (class in espei.parameter_selection.fitting_steps) StepHM (class in espei.parameter_selection.fitting_steps) StepLogVA (class in espei.parameter_selection.fitting_steps) StepSM (class in espei.parameter_selection.fitting_steps) StepV0 (class in espei.parameter_selection.fitting_steps) sublattice_model (espei.phase_models.ModelMetadata attribute) sublattice_site_ratios (espei.phase_models.ModelMetadata attribute) SUPPORTED_PRIORS (espei.priors.PriorSpec attribute) supported_reference_states (espei.parameter_selection.fitting_steps.AbstractLinearPropertyStep attribute) (espei.parameter_selection.fitting_steps.FittingStep attribute) (espei.parameter_selection.fitting_steps.StepHM attribute) (espei.parameter_selection.fitting_steps.StepLogVA 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) transform_data() (espei.parameter_selection.fitting_steps.AbstractLinearPropertyStep static method) (espei.parameter_selection.fitting_steps.StepLogVA static method) transform_feature() (espei.parameter_selection.fitting_steps.FittingStep class method) (espei.parameter_selection.fitting_steps.StepCPM class method) (espei.parameter_selection.fitting_steps.StepHM class method) (espei.parameter_selection.fitting_steps.StepSM class method) 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 attribute) (espei.error_functions.residual_base.ResidualFunction attribute) Z ZPFResidual (class in espei.error_functions.zpf_error)