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3.0-14-g9459e553

Main

  • Background
  • Installation
  • Tutorial
  • FAQ
  • Credits

Advanced topics

  • Structure generation
  • Cluster expansion construction
  • Sampling cluster expansions

Function reference

  • icet
  • mchammer
    • Calculators
    • Ensembles
    • Observers
    • Data containers
  • Core

Backmatter

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

mchammerΒΆ

Contents

  • Calculators
    • ClusterExpansionCalculator
    • ConstituentStrainCalculator
    • TargetVectorCalculator
  • Ensembles
    • Canonical ensemble
    • Canonical annealing
    • Semi-grand canonical ensemble
    • Variance-constrained semi-grand canonical ensemble
    • Hybrid ensemble
    • Wang-Landau ensemble
    • Thermodynamic-integration ensemble
  • Observers
    • SiteOccupancyObserver
    • BinaryShortRangeOrderObserver
    • StructureFactorObserver
    • ClusterCountObserver
    • ClusterExpansionObserver
    • ConstituentStrainObserver
  • Data containers
    • DataContainer
    • WangLandauDataContainer
    • Analysis functions
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