ESPEI
0.8
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
Releasing ESPEI
ESPEI
»
Index
Edit on GitHub
Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
I
|
L
|
M
|
N
|
O
|
P
|
R
|
S
|
T
|
U
|
V
|
W
A
add_bibtex_to_bib_database() (in module espei.utils)
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.PhaseRegion attribute)
composition_conds (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
config_logger() (in module espei.logger)
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.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)
extract_conditions() (in module espei.error_functions.zpf_error)
extract_phases_comps() (in module espei.error_functions.zpf_error)
F
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)
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_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_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)
I
id (espei.optimizers.graph.OptNode attribute)
ImmediateClient (class in 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)
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 attribute)
(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 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_points (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)
PickleableTinyDB (class in espei.utils)
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)
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)
W
weight (espei.error_functions.equilibrium_thermochemical_error.EqPropData attribute)
Read the Docs
v: 0.8
Versions
latest
stable
0.8
0.7.12
0.7.11
0.7.9
0.7.8
0.7.7
0.7.6
0.7.5
0.7.4
0.7.3
0.7.2
0.7.1
0.7
0.6.2
0.6.1
0.6
0.5.1
0.5
0.4.1
0.4
0.3.1.post2
0.3.1.post1
0.3.1
0.3.post2
0.3
0.2.1
0.2
0.1.5
0.1.4
0.1.3
Downloads
On Read the Docs
Project Home
Builds