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  • Cluster space
  • Structures
  • Force constant models
  • Other functions
  • Input/output and logging
  • Core components
gitlab | materialsmodeling.org

Reference#

  • Cluster space
    • ClusterSpace
    • Cutoffs
  • Structures
    • Preparing structures for training
    • StructureContainer
    • FitStructure
    • Structure generation
    • Other functions
  • Force constant models
    • ForceConstantPotential
    • ForceConstantCalculator
    • ForceConstants
    • Constraints
  • Other functions
    • Self-consistent phonons
    • MD tools
    • Enforcing rotational sum rules
    • Utilities
  • Input/output and logging
    • Input and output
    • Logging
  • Core components
    • config
    • cluster_space_builder
    • clusters
    • orbits
    • rotational_constraints
    • translational_constraints
    • atoms
    • structures
    • structure_alignment
    • tensors
    • utilities

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Cluster space