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CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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| 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 |