CASM
AClustersApproachtoStatisticalMechanics
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Clex

Detailed Description

The functions and classes related to evaluating cluster expansions.

Modules

 Clex
 Relates to cluster expansion basis sets and ECI.
 
 Configuration
 A Configuration represents the values of all degrees of freedom in a Supercell.
 
 PrimClex
 PrimClex is the top-level data structure for a CASM project.
 
 Reference
 Specify a reference for a cluster expanded property.
 
 Supercell
 Represents a supercell of the primitive parent crystal structure.
 

Classes

class  CASM::CompositionConverter
 Convert between number of species per unit cell and parametric composition. More...