CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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Relates to cluster expansion basis sets and ECI.
Modules | |
Clexulator | |
Clexulator is a class for evaluating crystal basis functions and cluster expansions. | |
Classes | |
struct | CASM::Clex |
Pair of Clexulator and ECIContainer. More... | |
class | CASM::ECIContainer |
A sparse container of ECI values and their corresponding orbit indices. More... | |
class | CASM::PrimNeighborList |
The PrimNeighborList gives the coordinates of UnitCell that are neighbors of the origin UnitCell. More... | |