ESPEI
0.6.2
ESPEI
Installation
Quickstart
What's new
What’s New
Tutorials
Cu-Mg Example
Making ESPEI datasets
Reference
ESPEI YAML input files
Theory
Recipes
Advanced Schedulers
API Documentation
Developer
Contributing to ESPEI
Software design
ESPEI
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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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O
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P
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R
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S
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T
A
add_bibtex_to_bib_database() (in module espei.utils)
B
bib_marker_map() (in module espei.utils)
build_candidate_models() (in module espei.parameter_selection.model_building)
build_feature_sets() (in module espei.parameter_selection.model_building)
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_site_fraction_product() (in module espei.parameter_selection.redlich_kister)
calculate_activity_error() (in module espei.error_functions.activity_error)
calculate_points_array() (in module espei.error_functions.thermochemical_error)
calculate_thermochemical_error() (in module espei.error_functions.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)
clean_dataset() (in module espei.datasets)
D
database_symbols_to_fit() (in module espei.utils)
dataplot() (in module espei.plot)
DatasetError
E
endmembers_from_interaction() (in module espei.sublattice_tools)
eqdataplot() (in module espei.plot)
espei (module)
espei.analysis (module)
espei.core_utils (module)
espei.datasets (module)
espei.error_functions (module)
espei.error_functions.activity_error (module)
espei.error_functions.thermochemical_error (module)
espei.error_functions.zpf_error (module)
espei.espei_script (module)
espei.mcmc (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.refdata (module)
espei.rstate (module)
espei.sublattice_tools (module)
espei.utils (module)
estimate_hyperplane() (in module espei.error_functions.zpf_error)
F
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_parameter_distribution() (in module espei.mcmc)
generate_parameters() (in module espei.paramselect)
generate_symmetric_group() (in module espei.sublattice_tools)
get_data() (in module espei.core_utils)
get_next_symbol() (in module espei.paramselect)
get_prop_data() (in module espei.error_functions.thermochemical_error)
get_prop_samples() (in module espei.error_functions.thermochemical_error)
get_run_settings() (in module espei.espei_script)
get_samples() (in module espei.core_utils)
I
interaction_test() (in module espei.sublattice_tools)
L
lnprob() (in module espei.mcmc)
load_datasets() (in module espei.datasets)
log_version_info() (in module espei.espei_script)
M
main() (in module espei.espei_script)
make_successive() (in module espei.parameter_selection.model_building)
mcmc_fit() (in module espei.mcmc)
multiplot() (in module espei.plot)
O
optimal_parameters() (in module espei.utils)
P
parameter_term() (in module espei.utils)
phase_fit() (in module espei.paramselect)
plot_parameters() (in module espei.plot)
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)
run_espei() (in module espei.espei_script)
S
score_model() (in module espei.parameter_selection.selection)
select_model() (in module espei.parameter_selection.selection)
shift_reference_state() (in module espei.parameter_selection.utils)
sigfigs() (in module espei.utils)
sorted_interactions() (in module espei.sublattice_tools)
symmetry_filter() (in module espei.core_utils)
T
target_chempots_from_activity() (in module espei.error_functions.activity_error)
tieline_error() (in module espei.error_functions.zpf_error)
truncate_arrays() (in module espei.analysis)
tuplify() (in module espei.sublattice_tools)
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