ESPEI
0.7.9
ESPEI
Installation
Quickstart
References
What's new
What’s New
Tutorials
Cu-Mg Example
How-to
ESPEI YAML input files
Specifying Priors
Making ESPEI datasets
Recipes
Use a custom unary reference state
Reference
Advanced Schedulers
API Documentation
Developer
Contributing to ESPEI
Software design
ESPEI
Docs
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Index
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Index
A
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B
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C
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D
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E
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F
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G
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I
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L
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M
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N
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O
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P
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R
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S
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T
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U
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V
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W
A
add_bibtex_to_bib_database() (in module espei.utils)
add_ideal_exclusions() (in module espei.datasets)
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)
build_ternary_feature_matrix() (in module espei.parameter_selection.ternary_parameters)
C
calc_interaction_product() (in module espei.parameter_selection.redlich_kister)
calc_prop_differences() (in module espei.error_functions.equilibrium_thermochemical_error)
calc_site_fraction_product() (in module espei.parameter_selection.redlich_kister)
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_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.PhaseRegion attribute)
composition_conds (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
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 attribute)
(espei.error_functions.zpf_error.PhaseRegion attribute)
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)
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.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.mcmc (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.ternary_parameters (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)
estimate_hyperplane() (in module espei.error_functions.zpf_error)
extract_conditions() (in module espei.error_functions.zpf_error)
extract_phases_comps() (in module espei.error_functions.zpf_error)
F
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)
flexible_open_string() (in module espei.utils)
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_dask_config_paths() (in module espei.utils)
get_data() (in module espei.core_utils)
get_data_quantities() (in module espei.parameter_selection.utils)
get_equilibrium_thermochemical_data() (in module espei.error_functions.equilibrium_thermochemical_error)
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_samples() (in module espei.core_utils)
get_thermochemical_data() (in module espei.error_functions.non_equilibrium_thermochemical_error)
get_transformation_dict() (espei.optimizers.graph.OptGraph method)
get_weights() (in module espei.core_utils)
get_zpf_data() (in module espei.error_functions.zpf_error)
I
id (espei.optimizers.graph.OptNode attribute)
initialize_chains_from_trace() (espei.optimizers.opt_mcmc.EmceeOptimizer static method)
initialize_new_chains() (espei.optimizers.opt_mcmc.EmceeOptimizer static method)
interaction_test() (in module espei.sublattice_tools)
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)
mcmc_fit() (in module espei.mcmc)
models (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
(espei.error_functions.zpf_error.PhaseRegion attribute)
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 attribute)
P
parameter_term() (in module espei.utils)
parameters (espei.optimizers.graph.OptNode attribute)
params_keys (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
parent (espei.optimizers.graph.OptNode attribute)
phase_fit() (in module espei.paramselect)
phase_flags (espei.error_functions.zpf_error.PhaseRegion attribute)
phase_records (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
(espei.error_functions.zpf_error.PhaseRegion attribute)
PhaseRegion (class in espei.error_functions.zpf_error)
phases (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
(espei.error_functions.zpf_error.PhaseRegion attribute)
plot_parameters() (in module espei.plot)
popget() (in module espei.utils)
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.core_utils)
recursive_tuplify() (in module espei.sublattice_tools)
reference (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
region_phases (espei.error_functions.zpf_error.PhaseRegion attribute)
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 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() (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 attribute)
(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)
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)
W
weight (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
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