API Reference

The full API documentation for all classes and functions in the WFacer package are listed below.

• Structure generators
  • Monte-Carlo sample generators
• Species decorators
  • Generic decorators
  • Charge decorators
• Miscellaneous utility functions
  • Convex hull
  • Duplicacy check
  • Occupancy
  • Data query
  • Structure selection
  • Sparse-lm estimator handling
  • Supercell matrix
  • TaskDoc handling
• WFacer main functionalities
  • Cluster expansion convergence check
  • Structure enumeration
  • Cluster expansion fitting
  • Cluster expansion jobs (Atomate2)
  • Cluster expansion workflow maker (Atomate2)
  • Preprocess options and inputs
  • The CeOutputsDocument schema
  • CeDataWrangler (WFacer)

Autogenerated Indices

• Module Index

• Index

• Search Page