CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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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... | |