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CASM
AClustersApproachtoStatisticalMechanics
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CASM
AClustersApproachtoStatisticalMechanics
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| ►NCASM | Main CASM namespace |
| ►NCASM_TMP | |
| CBracketAccess | Helper Functor for Counter container access using operator[] |
| CFloatingPointLessThan | |
| CIfIntegralTol | |
| CIfIntegralTol< tol_type, false > | |
| CIfIntegralTol< tol_type, true > | |
| CIntegralLessThan | |
| Cis_iterator | Base type inherits from std::false_type if T is not iterator |
| Cis_iterator< T, void_t< decltype(++std::declval< T & >()), decltype(*std::declval< T & >()), decltype(std::declval< T & >()==std::declval< T & >()) > > | Specialized case inherits from std::true_type if T is an iterator |
| Cmake_void | Alias for void, to help SFINAE work |
| CParenthesesAccess | Helper Functor for Counter container access using operator() |
| Ctraits | |
| Ctraits< Counter< _Container, _value_type, _size_type, _Access, _Compare > > | |
| Ctraits< EnumEquivalents< ObjectType, SymOpIterator, SymOpType, SymOpCompare > > | |
| Ctraits< IsoCounter< _Container, _value_type, _size_type, _Access, _Compare > > | |
| ►NClexulator_impl | |
| CBase | Abstract base class for cluster expansion correlation calculations |
| ►NComparePTLeaf | |
| CByMonomialOrder | |
| CCustomOrder | |
| ►NCompleter | |
| CArgHandler | |
| CBsetOption | |
| CCompositionOption | |
| CEngine | |
| CEnumOption | |
| CFilesOption | |
| CFormatOption | |
| CImportOption | |
| CInitOption | |
| CMonteOption | |
| COption | |
| COptionHandlerBase | |
| CPerturbOption | |
| CQueryOption | |
| CRefOption | |
| CRmOption | |
| CRunOption | |
| CSelectOption | |
| CSettingsOption | |
| CStatusOption | |
| CSuboption | |
| CSuperOption | |
| CSymOption | |
| CUpdateOption | |
| CViewOption | |
| ►NConfigIO | Contains ConfigIO classes and functions |
| CAtomFrac | Returns fraction of all species that are a particular species, excluding vacancies |
| CBaseHull | Base class for hull info formatters |
| CClex | Returns predicted formation energy |
| CClexHullDist | Returns the distance, in eV, of a configuration's clex(formation_energy_per_atom) above the predicted convex hull |
| CComp | Calculate param composition of a Configuration |
| CCompN | Calculate number of each species per unit cell |
| CCorr | Returns correlation values |
| CDoFStrain | The strain of the configuration due to relaxation, measured relative to ideal lattice vectors |
| CHullDist | Returns the distance, in eV, of a configuration's formation_energy_per_atom above the convex hull |
| CMagBase | Returns the site-specific magnetic moments |
| CNovelty | A DatumFormatter class to measure the 'novelty' of a configuration with respect to a population of configurations Larger numbers indicate a more novel configuration, and a very large number (>~100) indicates a configuration that is linearly independent from the population (in terms of its correlations) |
| COnClexHull | Returns a boolean indicating if a Configuration is a predicted convex hull vertex |
| COnHull | Returns a boolean indicating if a Configuration is a convex hull vertex |
| CRelaxationStrain | The strain of the configuration due to relaxation, measured relative to ideal lattice vectors |
| CSelected | Returns true if configuration is specified in given selection (default: MASTER) |
| CSiteFrac | Returns fraction of sites occupied by a species, including vacancies |
| CStrucScore | Evaluates the mapping of a configuration onto an arbitrary primitive structure |
| CTestCompN | Calculate number of each species per unit cell |
| ►NConfigIO_impl | |
| CMolDependent | Returns fraction of sites occupied by a species |
| ►NCoordinate_impl | |
| CCartCoordinate | A class to enable vector assignment to the Cartesian vector of a Coordinate |
| CCartCoordinateComponent | A class to enable assignment to a component of the Cartesian vector of a Coordinate |
| CFracCoordinate | A class to enable vector assignment to the fractional vector of a Coordinate |
| CFracCoordinateComponent | A class to enable assignment to a component of the fractional vector of a Coordinate |
| ►NDataStream_impl | |
| CDataStreamPromoter | |
| CDataStreamPromoter< bool > | |
| CDataStreamPromoter< char > | |
| CDataStreamPromoter< double > | |
| CDataStreamPromoter< long > | |
| CDataStreamPromoter< std::string > | |
| ►NDoFIsEquivalent | Namespace containing DoF comparison functors |
| CConfigDoFIsEquivalentBase | Base class for functors that compare ConfigDoF |
| CDisplacement | Compare displacement DoF |
| CFloatIsEquivalent | Abstract base class specialization of ConfigDoFIsEquivalentBase for floating point DoF types |
| CIntegralIsEquivalent | Abstract base class specialization of ConfigDoFIsEquivalentBase for integral DoF types |
| COccupation | Compare occupation DoF |
| CStrain | |
| ►NMonte | |
| CCanonical | |
| CCanonicalConditions | |
| CCanonicalEvent | Data structure for storing information regarding a proposed grand canonical Monte Carlo event |
| CCanonicalSettings | |
| CConversions | |
| CMol | Represents the occupant on a site |
| COccCandidate | |
| COccCandidateList | List of asym / species_index pairs indicating allowed variable occupation dof |
| COccEvent | |
| COccLocation | Stores data to enable efficient proposal and update of occupation mutation |
| COccSwap | Store swap type, mutating sites, and info for keeping OccLocation up-to-date |
| COccTransform | |
| CSpecieLocation | |
| CSpecies | Represents an indivisible molecule component |
| CSpecieTraj | |
| ►Nmultivector_impl | |
| Cmultivector_tmp | |
| Cmultivector_tmp< T, 0 > | |
| ►NVaspIO | Functions and classes related to VASP input/output |
| ►Nvaspio_impl | |
| CPrintPOSCARBase | |
| CPrintPOSCAR | Print POSCAR with formating options |
| CSelectiveDynamics | Store SelectiveDynamics options |
| CArgs | |
| CArray | Basic std::vector like container (deprecated) |
| CArraySizeLessThan | |
| CAtomFracMonteSampler | Sampler for atom fraction |
| CAtomPosition | |
| CBase1DDatumFormatter | Abstract base class for creating 1D DatumFormatter |
| CBaseCounter | A Counter allows looping over many incrementing variables in one loop |
| CBaseDatumFormatter | Abstract base class from which all other DatumFormatter<DataObject> classes inherit |
| CBaseValueFormatter | Base class for creating scalar DatumFormatter |
| CBasicPolyPolyScalarProd | |
| CBasicStructure | BasicStructure specifies the lattice and atomic basis of a crystal |
| CBasicVarVarScalarProd | |
| CBasisSet | |
| CChemicalReference | |
| CChemicalReferencePrinter | Structure to help print ChemicalReference |
| CChemicalReferenceState | Stores the composition and energy in a single reference state |
| CClex | Data structure used for cluster expansions |
| CClexDescription | Specifies a particular cluster expansion |
| CClexulator | Evaluates correlations |
| CClustJsonHelper | |
| CCommandArgs | Data structure holding basic CASM command info |
| CComparisons | Implements other comparisons in terms of '<' |
| CCompMonteSampler | Sampler for parametric composition |
| CCompositionAxes | |
| CCompositionConverter | Convert between number of species per unit cell and parametric composition |
| CConfigCompare | Class for less than comparison of Configurations (with the same Supercell) |
| CConfigDoF | A container class for the different degrees of freedom a Configuration might have |
| CConfigDoFCompare | Wrapper class for generic less than comparison of ConfigDoF |
| CConfigDoFIsEquivalent | Wrapper class for generic equality comparison of ConfigDoF |
| CConfigEnumAllOccupations | Enumerate over all possible occupations in a particular Supercell |
| CConfigEnumEquivalents | Enumerate all equivalent Configurations in a Supercell, as generated by Supercell factor group symmetry |
| CConfigEnumInterpolation | |
| CConfigEnumRandomOccupations | Enumerate n random occupations in a particular Supercell |
| CConfigEnumStrain | |
| CConfigInsertResult | Holds results of Configuration::insert |
| CConfigIsEquivalent | Class for comparison of Configurations (with the same Supercell) |
| CConfigIterator | |
| CConfigMapCompare | |
| CConfigMapper | |
| CConfigSelection | |
| CConfigSelectionIterator | |
| CConfiguration | A Configuration represents the values of all degrees of freedom in a Supercell |
| CConstantReference | Maps all Configurations to the same value |
| CConstantValueFormatter | Prints a string value specified at construction. A header string can also be passed |
| CContainerTraits | Specialize container traits Expects: |
| CContainerTraits< Eigen::VectorXd > | Eigen::VectorXd container traits |
| CContinuousDoF | |
| CCOORD_MODE | COORD_MODE specifies the current coordinate mode (Fractional or Cartesian) |
| CCoordinate | Represents cartesian and fractional coordinates |
| CCountDataStream | |
| CCounter | A Counter allows looping over many incrementing variables in one loop |
| CCounterValueIterator | |
| CCounterValueIterator< MultiCounter< SubCounterType > > | |
| CCovEvaluator | Functor to help evaluate covariance |
| ►CDataFormatter | Extract data from objects of 'DataObject' class |
| CFormattedIteratorPair | Implements generic formatting member functions for ranges of data objects |
| CFormattedObject | Implements generic formatting member functions for individual data objects |
| CDataFormatterDictionary | Parsing dictionary for constructing a DataFormatter<DataObject> object |
| CDataFormatterOperator | DataFormatters that operate on the results of other DataFormatters |
| CDataStream | |
| CDatumFormatterAlias | Implements a DatumFormatter that is an alias for a combination of others |
| CDeltaProperties | |
| CDerivedID | |
| CDictionaryConverter | |
| CDictionaryConverter< DataObject, BaseDatumFormatter< DataObject > > | |
| CDirectoryStructure | Specification of CASM project directory structure |
| CDiscreteDoF | |
| CDisplacementDoFEnvironment | |
| ►CDoF | |
| CRemoteHandle | |
| CDoFEnvironment | |
| CDoFManager | DoFManager holds multiple DoFEnvironments, and provides a simple interface for adding and managing DoFs |
| CDynamicMatrix | |
| CECIContainer | A sparse container of ECI values and their corresponding orbit indices |
| CEnumEquivalents | Enumerate over all equivalents |
| CEnumeratorBase | Abstract base class for enumerators |
| CEnumeratorHandler | |
| CEnumInterface | Template class to be specialized for each enumerator that may be accessed via the API |
| CEnumInterfaceBase | Base class for generic use of enumerators that may be accessed through the API |
| CEnumIteratorBase | |
| CEquilibriumMonteSettings | |
| CFCC_ternary_Clexulator | |
| CFileEnumerator | Lists all files in a CASM project, for use with 'casm files' command |
| CFillSupercell | |
| CFilteredConfigIterator | |
| CFloatCompare | |
| CFormatFlag | |
| CFormattedPrintable | Abstract base class to enable generic formatting |
| CFunction | |
| CFunctionOperation | |
| CFunctionVisitor | |
| CGeneric1DDatumFormatter | A DatumFormatter that returns a 1D value of specified type, via functions that may be specified at runtime |
| CGenericCluster | |
| CGenericDatumFormatter | A DatumFormatter that returns a value of specified type, via functions that may be specified at runtime |
| CGenericOrbit | |
| CGenericOrbitBranch | |
| CGenericOrbitree | |
| CGramSchmidt | |
| CGrandCanonical | |
| CGrandCanonicalConditions | |
| CGrandCanonicalEvent | Data structure for storing information regarding a proposed grand canonical Monte Carlo event |
| CGrandCanonicalSettings | |
| ►CHallOfFame | A container for storing best scoring objects |
| CCompare | |
| CInsertResult | Results data structure for HallOfFame::insert |
| CHermiteCounter | |
| CHierarchyID | |
| ►CHull | Generate and inspect the convex hull generated from a selection of Configurations |
| CCompareVertex | |
| CHyperPlaneReference | Maps a Configuration to a scalar value via a hyperplane |
| CHyperPlaneReferenceBase | Maps a Configuration to a scalar value via a hyperplane |
| CInnerProduct | |
| CInputEnumerator | Generic input enumerator |
| CInputEnumeratorBase | Base class for implementing specialized input enumerators |
| CInputEnumIterator | |
| CInputEnumIteratorBase | |
| CIsoCounter | A IsoCounter allows looping over many incrementing variables in one loop |
| CjsonConstructor | Helper struct for constructing objects that need additional data |
| CjsonConstructor< ChemicalReference > | Read chemical reference from JSON |
| CjsonConstructor< HyperPlaneReference > | |
| CjsonConstructor< Monte::OccCandidate > | |
| CjsonConstructor< Monte::OccSwap > | |
| CjsonParser | |
| CjsonParserIterator | |
| CLabeledMatrixXdDataStream | |
| CLattice | |
| CLatticeEnumEquivalents | Enumerate equivalent Lattics, given a SymGroup |
| CLatticeIsEquivalent | Putting all the Lattice comparisons in one place |
| CLatticeMap | |
| CLog | |
| CLogging | |
| CMasterSymGroup | |
| CMatrixXdDataStream | |
| CMCData | MCData stores observations of properties |
| CMCDataConvergence | Checks if a range of observations have converged |
| CMCDataEquilibration | Checks if a range of observations have equilibrated |
| CMolecule | |
| CMonteCarlo | Interface base class for all types of Monte Carlo simulations (not meant to be used polymorphically) |
| CMonteCarloDirectoryStructure | |
| CMonteCarloEnum | |
| CMonteCarloEnumCheck | |
| CMonteCarloEnumMetric | |
| CMonteCounter | Track the number of passes, steps and samples taken in a Monte Carlo calculation |
| CMonteDriver | |
| CMonteSampler | An abstract base class for sampling and storing data observations |
| CMonteSettings | Settings for Monte Carlo calculations |
| CMultiCounter | |
| Cmultivector | Shortcut for multidimensional vector (std::vector< std::vector< ...) |
| CNiggliRep | |
| CNorm | |
| CNormPerSpecies | |
| CNormPerUnitCell | |
| COccFuncBasisIndexer | |
| COccFuncLabeler | |
| COccOccOperation | |
| COccupantDoF | |
| COccupantFunction | |
| COccupationDoFEnvironment | |
| COStringStreamLog | |
| CParamComposition | |
| CPCA | Principle component analysis |
| CPERIODICITY_MODE | |
| CPermutation | |
| CPermuteIterator | |
| CPolynomialFunction | |
| CPolyOccOperation | |
| CPolyPolyOperation | |
| CPolyTrie | |
| CPolyVarOperation | |
| CPopen | Remember how to use popen |
| CPrimClex | PrimClex is the top-level data structure for a CASM project |
| CPrimGrid | |
| CPrimNeighborList | The PrimNeighborList gives the coordinates of UnitCell that are neighbors of the origin UnitCell |
| CProjectBuilder | Sets up directories and files for a new CASM project |
| CProjectSettings | Read/modify settings of an already existing CASM project |
| CProperties | |
| CPTIterator | |
| CPTLeaf | |
| CPTNode | |
| CQueryHandler | |
| ►CQueryMonteSampler | Sampler for individual elements of a vector property |
| CFormatter | Data structure to make queries occur once each sample time |
| CQueryTraits | |
| CQueryTraits< Configuration > | |
| CRandomAccessEnumerator | Generic random access enumerator |
| CRandomAccessEnumeratorBase | Base class for implementing specialized random access enumerators |
| CRandomAccessEnumIterator | The iterator type for RandomAccessEnumerator |
| CRandomAccessEnumIteratorBase | RandomAccessEnumIterator implemenation |
| CReturnArray | |
| CReturnTensor | |
| CRuntimeLibrary | Write, compile, load and use code at runtime |
| CSafeOfstream | Write to a temporary file to ensure a good write, then rename |
| CSamplerNameCompare | |
| CScalarMonteSampler | Sampler for a scalar property |
| CScelEnumByNameT | Enumerate over Supercell |
| CScelEnumByPropsT | Enumerate over Supercell |
| CScelEnumEquivalents | Enumerate equivalent Supercell |
| CScelEnumProps | Data structure for holding supercell enumeration properties |
| CScelEnumT | Enumerate over Supercell |
| CSimpleJSonSiteStructure | |
| CSite | |
| CSiteCluster | |
| CSiteExchanger | |
| CSiteFracMonteSampler | Sampler for site fraction |
| CSiteMod | Describes the modification of a variable on a basis site |
| CSparseTensor | |
| CSpecie | |
| CStrainConverter | |
| CStrainDoFEnvironment | |
| CStructure | Structure specifies the lattice and atomic basis of a crystal |
| CSubExpressionLabeler | |
| CSupercell | Represents a supercell of the primitive parent crystal structure |
| CSupercellEnumerator | A fake container of supercell matrices |
| CSupercellIterator | Iterators used with SupercellEnumerator |
| CSuperConfigEnum | Given a selection of Configurations, enumerate all tilings into some supercell |
| CSuperNeighborList | The SuperNeighborList gives the linear indices of neighboring sites and unitcells in a particular Supercell |
| CSymBasisPermute | SymBasisPermute describes how a symmetry operation permutes atoms in a basis |
| CSymGroup | SymGroup is a collection of symmetry operations that satisfy the group property The symmetry operations are stored as their coordinate representation, as described by the SymOp class i.e., if SymOps 'A' and 'B' are in SymGroup, C=A*B is also in SymGroup if 'A' is in SymGroup, then A.inverse() is in SymGroup SymGroup always contains an identity operation |
| CSymGroupRep | SymGroupRep is an alternative representation of a SymGroup for something other than real space. There is a one-to-one correspondence of SymOps in some SymGroup with the SymOpRepresentations in SymGroupRep SymGroupRep does not know or care about the specifics of what the SymOpRepresentations describe or how they are implemented |
| CSymGroupRepHandle | |
| CSymGroupRepID | Type-safe ID object for communicating and accessing Symmetry representation info |
| CSymInfo | Simple struct to be used as return type for SymOp::info() |
| CSymMatrixXd | Generalized symmetry matrix representation for arbitrary dimension Can be used to describe application of symmetry to N-dimensional vector spaces Use for 3-dimensional transformations if they do not describe coordinate transformations |
| CSymOp | SymOp is the Coordinate representation of a symmetry operation it keeps fraction (FRAC) and Cartesian (CART) information about how a symetry operation transforms 3D spatial coordinates |
| CSymOpRepresentation | SymOpRepresentation is the base class for anything describes a symmetry operation |
| CSymPermutation | SymPermutation describes how a symmetry operation permutes a list of 'things' For example, Coordinates in a Cluster, basis atoms in a Structure, Clusters in an Orbit, etc |
| CSymRepIndexCompare | |
| CTensor | |
| CTensorBasis | |
| Ctest_Clexulator | |
| CTestEnum | Enumerate over all possible occupations in a particular Supercell |
| Ctraits | |
| CUnitCell | Unit Cell Indices |
| CUnitCellCoord | Unit Cell Coordinates |
| CValEnumerator | |
| CValEnumIterator | |
| CValueDataStream | |
| CVariable | |
| CVariableLabeler | |
| CVarVarOperation | |
| CVectorDataStream | |
| CVectorMonteSampler | Sampler for individual elements of a vector property |
| CZrO_Clexulator | |
| ►Nnotstd | Non-std smart pointer classes and functions |
| CCloneable | |
| Ccloneable_ptr | A 'cloneable_ptr' can be used in place of 'unique_ptr' |
| CGetSecond | |
| CGetSecondConst | |
| CGetSecondDereferenced | |
| CGetSecondDereferencedConst | |
| Chas_clone | Base type inherits from std::false_type if T does not have clone method |
| Chas_clone< T, CASM::CASM_TMP::void_t< decltype(std::declval< T & >().clone())> > | Specialized case inherits from std::true_type if T does have clone method |
| Cunique_map | Std::map wrapper to enforce a 1-1 ValueType->KeyType relationship |
| CUniqueMapIterator | An iterator over a UniqueMap |
| ►Nstd | |
| Cis_floating_point< CASM::Coordinate_impl::CartCoordinateComponent > | |
| Cis_floating_point< CASM::Coordinate_impl::FracCoordinateComponent > | |
| ►Ntest | |
| CFCCTernaryProj | |
| CProj | |
| CZrOProj | |
| CChecks |
1.8.8 
