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1.2.2-55-ga63987b5

Main

  • Background
  • Installation
  • Tutorial
  • Advanced topics
  • FAQ
  • Credits

Function reference

  • icet
    • Cluster space
    • Structure containers
    • Optimizers
    • Cluster expansions
    • Tools
  • mchammer

Backmatter

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

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Contents

  • Cluster space
    • Setting up a cluster space
    • Interface
  • Structure containers
  • Optimizers
    • Overview
    • Optimizer
    • EnsembleOptimizer
    • CrossValidationEstimator
  • Cluster expansions
  • Tools
    • Mapping structures
    • Structure enumeration
    • Generation of special structures
    • Ground state finder
    • Convex hull construction
    • Fitting with constraints
    • Other structure tools
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