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0.5-27-gd7a63dce

Main

  • Background
  • Installation
  • Tutorial
  • Advanced topics
  • Credits

Function reference

  • icet
    • Cluster space
    • Structures
    • Optimizers
    • Cluster expansions
    • Tools
  • mchammer
  • Core components

Backmatter

  • Bibliography
  • Glossary
  • Index
icet
gitlab | materialsmodeling.org

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Contents

  • Cluster space
    • Supplementary functions
  • Structures
    • StructureContainer
    • Structure
  • Optimizers
    • Overview
    • Optimizer
    • EnsembleOptimizer
    • CrossValidationEstimator
  • Cluster expansions
  • Tools
    • Convex hull construction
    • Mapping structures
    • Structure enumeration
    • Structure generation and SQS
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