build_corrected_entries_doc

emmet.builders.materials.corrected_entries.build_corrected_entries_doc(input, compatibilities=[None])

Process computed structure entries using corrections defined in pymatgen compatibility classes. Ensures compatibility of energies for entries for different thermodynamic hulls.

Input entries must all belong to the same chemical system. Caller is responsible for constructing CorrectedEntriesBuilderInput instances within their data pipeline context.

Return type:

CorrectedEntriesDoc

Parameters:
Args:
input: CorrectedEntriesBuilderInput with an aggregated list of computed

structure entries for a single chemical system.

compatibilities: List of pymatgen compatibility classes to apply to

input entries.

Returns:
CorrectedEntriesDoc: if no Compatibility class(es) are provided, and all

entries have the same functional, no corrections will be applied and entries will simply be passed through to CorrectedEntriesDoc constructor.