CASM
1.1.0
A Clusters Approach to Statistical Mechanics
|
API | Relates to the CASM API |
▼Project | |
PrimClex | PrimClex is the top-level data structure for a CASM project |
▼IO | Input/output classes and functions |
▼DataFormatter | Functions and classes related to calculating properties and formatting data |
Basic Types | Base types for creating data formatters |
DataFormatterOperator | Operators on other DatumFormatters |
Configuration Queries | Data formatters that return Configuration properties |
EnumIO | Helpers for enum class IO |
JsonParser | JSON input/output |
VaspIO | Functions and classes related to VASP input/output |
▼Clex | The functions and classes related to evaluating cluster expansions |
▼Clex | Relates to cluster expansion basis sets and ECI |
Clexulator | Clexulator is a class for evaluating crystal basis functions and cluster expansions |
▼Configuration | A Configuration represents the values of all degrees of freedom in a Supercell |
Configuration Enumerators | Enumerates Configuration |
ConfigIsEquivalent | Methods for comparing Configurations (with the same 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 |
Supercell Enumerators | Enumerates Supercell |
OrbitGeneration | Helpers for generating Orbit |
▼Clusterography | Functions and classes related to clusters |
ClusterOrbits | Functions and classes for IntegralCluster orbits of any type |
ClusterSpecs | ClusterSpecs Generate IntegralCluster orbits of specific types |
ClusterSymCompare | Functions and classes for creating cluster SymCompare functors for orbit generation \ |
▼IntegralCluster | Functions and classes related to IntegralCluster |
ClusterOrbits | Functions and classes for IntegralCluster orbits of any type |
ClusterSpecs | ClusterSpecs Generate IntegralCluster orbits of specific types |
ClusterSymCompare | Functions and classes for creating cluster SymCompare functors for orbit generation \ |
IntegralClusterOrbits | Traits and functions for specific types of IntegralCluster orbits |
IntegralClusterOrbits | Traits and functions for specific types of IntegralCluster orbits |
▼Container | Useful containers |
Array | Basic std::vector like container (deprecated) |
Counter | Counters allow looping over many incrementing variables in one loop |
PolyTrie | A trie structure for representing polynomials |
Tensor | Data structure representing tensors |
▼Enumerator | Algorithms for enumerating objects such as Lattice, Supercell, Configuration |
Configuration Enumerators | Enumerates Configuration |
Supercell Enumerators | Enumerates Supercell |
Lattice Enumerators | Enumerates Lattice |
EnumEquivalents | Enumerate equivalent objects |
LinearAlgebra | Linear algebra routines |
▼Crystallography | Relates to crystallography |
Structure | Specifies the lattice and basis of a crystal |
Coordinate | Relates to coordinates |
▼Lattice | Relates to Lattice |
Lattice Enumerators | Enumerates Lattice |
Molecule | Relates to Molecule |
▼Symmetry | Relates to symmetry operations and groups |
EnumEquivalents | Enumerate equivalent objects |
SymGroup | Relates to symmetry groups |
SymOp | Relates to symmetry operations |