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