Usage

Using libcasm-clexulator:

• The ConfigDoFValues data structure
  • Overview
  • Data structure layout
  • Basis types
  • Construction
  • Changing basis
  • Input and output
• Evaluating a cluster expansion
  • Construct a ClusterExpansion
  • Evaluate the cluster expansion
  • Change DoF values and re-calculate
  • Set a ClusterExpansion to use a different ConfigDoFValues instance
  • Calculate the effect of changes in DoF values
• Evaluating a local cluster expansion
  • Construct a LocalClusterExpansion
  • Evaluate the local cluster expansion
• Cluster expansion details
  • The CASM Clexulator
  • Neighbor lists
  • Environment variables for compiling and linking Clexulator
  • Constructing a Clexulator
  • Constructing a LocalClexulator
• Evaluating order parameters
  • DoFSpace
  • Global DoF
  • Local DoF
  • The OrderParameter calculator
  • Construction
  • Setup
  • Evaluate the order parameters
  • Change DoF values and re-evaluate
• Neighbor lists
  • Constructing neighbor lists
  • Using a SuperNeighborList