- Generated on Tue Mar 23 2021 14:17:11 for CASM by
1.9.1
|
CASM
1.1.0
A Clusters Approach to Statistical Mechanics
|
| ►Nboost | |
| Nfilesystem | |
| Nprogram_options | |
| Citerator_range | |
| ►NCASM | Main CASM namespace |
| ►Nadapter | |
| CAdapter | |
| CAdapter< Configuration, ConfigEnumData< EnumeratorType, InitialStateType > > | |
| CAdapter< Supercell, ConfigEnumData< EnumeratorType, InitialStateType > > | |
| CAdapter< DataObject, QueryData< DataObject > > | |
| CAdapter< OccupantDoF< DiscreteType >, std::vector< DiscreteType > > | |
| CAdapter< CASM::DoFSet, xtal::DoFSet > | |
| CAdapter< CASM::DoFSet, xtal::SiteDoFSet > | |
| CAdapter< xtal::SymOp, FromType > | |
| CAdapter< xtal::SymOpVector, FromType > | |
| CAdapter< SymOp, PermuteIterator > | Convert CASM::PermuteIterator -> CASM::SymOp |
| CAdapter< SymGroup, FromType > | |
| CAdapter< SymOp, FromType > | |
| CAdapter< SymOp, SymOp > | |
| CAdapter< SupercellSymInfo, SupercellInfoData > | |
| Napi_impl | |
| ►NBasisSet_impl | |
| CArgList | |
| ►Nbset_impl | |
| COrbitPrinterAdapter | |
| ►NCASM_TMP | |
| CIfIntegralTol | |
| CIfIntegralTol< tol_type, true > | |
| CIfIntegralTol< tol_type, false > | |
| CIntegralLessThan | |
| CFloatingPointLessThan | |
| Cmake_void | Alias for void, to help SFINAE work |
| 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 |
| CUnaryIdentity | Unary transformation that behaves as Identity (i.e. transform(arg) == arg is true) |
| CConstantFunctor | N-nary function that behaves as a constant (i.e. transform(arg1,arg2,...) == constant is true) |
| CBracketAccess | Helper Functor for Counter container access using operator[] |
| CParenthesesAccess | Helper Functor for Counter container access using operator() |
| Cfor_each_type_impl | |
| Cfor_each_type_impl< 1 > | |
| Cfor_type_impl | |
| Cfor_type_impl< 1 > | |
| Cfor_type_short_impl | |
| Cfor_type_short_impl< 1 > | |
| Cfor_each_element_impl | |
| Cfor_each_element_impl< I, true > | |
| Chas_type | |
| Chas_type< T, std::tuple<> > | |
| Chas_type< T, std::tuple< U, Ts... > > | |
| Chas_type< T, std::tuple< T, Ts... > > | |
| ►Nclex_SimpleStructureTools_impl | |
| CTransformDirective | |
| NClexBasis_impl | |
| NClexBasisWriter_impl | |
| ►NClexParamPack_impl | |
| CBaseKey | BaseKey is base class from which all ClexParamKey implementation classes inherit. Hides implementation-specific access attributes through an abstract interface. A ClexParamKey object manages access for a particular type of data valuess. Additional specification of referenced data can be provided via linear or pair indices as necessary |
| ►NClexulator_impl | |
| CBase | Abstract base class for cluster expansion correlation calculations |
| ►NClusterSpecs_impl | |
| CDoFSitesFilter | |
| CAllClusters | |
| CMaxLengthClusterFilter | |
| CEmptyNeighborhood | |
| COriginNeighborhood | |
| CMaxLengthNeighborhood | |
| CCutoffRadiusNeighborhood | |
| NClusterSpecs_json_io_impl | |
| ►NComparePTLeaf | |
| CByMonomialOrder | |
| CCustomOrder | |
| ►NCompleter | |
| NSuboption_impl | |
| CSuboption | |
| COption | |
| CEngine | |
| CArgHandler | |
| COptionHandlerBase | |
| CMonteOption | |
| CRunOption | |
| CBsetOption | |
| CCompositionOption | |
| CRefOption | |
| CFilesOption | |
| CFormatOption | |
| CInitOption | |
| CPerturbOption | |
| CSettingsOption | |
| CStatusOption | |
| CSuperOption | |
| CViewOption | |
| CEnumOptionBase | |
| CSymOption | |
| CEnumOption | |
| CInfoOption | |
| CQueryOption | |
| CImportOption | |
| CSelectOption | |
| CRmOption | |
| CUpdateOption | |
| ►NConfigDoFIsEquivalent | Namespace containing DoF comparison functors |
| CBase | Base class for functors that compare ConfigDoF |
| COccupation | |
| CAnisoOccupation | |
| CFloat | Abstract base class specialization of Base for floating point DoF types |
| CLocal | |
| CGlobal | |
| NConfigEnumIO | |
| ►NConfigEnumSiteDoFsInterface_impl | |
| CMakeEnumerator | |
| ►NConfigEnumStrainInterface_impl | |
| CMakeEnumerator | |
| ►NConfigIO | Contains ConfigIO classes and functions |
| CComp | Calculate param composition of a Configuration |
| CCompN | Calculate number of each species per unit cell |
| CSiteFrac | Returns fraction of sites occupied by a species, including vacancies |
| CAtomFrac | Returns fraction of all species that are a particular species, excluding vacancies |
| CCorr | Returns correlation values |
| CCorrContribution | Returns correlation values |
| CPointCorr | Returns point correlation values |
| CGradCorr | Returns correlation values |
| CClex | Returns predicted formation energy |
| CBaseHull | Base class for hull info formatters |
| COnHull | Returns a boolean indicating if a Configuration is a convex hull vertex |
| CHullDist | Returns the distance, in eV, of a configuration's formation_energy_per_atom above the convex hull |
| COnClexHull | Returns a boolean indicating if a Configuration is a predicted convex hull vertex |
| CClexHullDist | Returns the distance, in eV, of a configuration's clex(formation_energy_per_atom) above the predicted convex hull |
| 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) |
| CRelaxationStrain | The strain of the configuration due to relaxation, measured relative to ideal lattice vectors |
| CDoFStrain | The strain DoF value of the configuration |
| CStrucScore | Evaluates the mapping of a configuration onto an arbitrary primitive structure |
| ►NConfigIO_impl | |
| CMolDependent | Returns fraction of sites occupied by a species |
| ►NConfigMapping | |
| CSettings | Struct with optional parameters for Config Mapping Specifies default parameters for all values, in order to simplify parsing from JSON |
| ►NDataStream_impl | |
| CDataStreamPromoter | |
| CDataStreamPromoter< std::string > | |
| CDataStreamPromoter< double > | |
| CDataStreamPromoter< long > | |
| CDataStreamPromoter< bool > | |
| CDataStreamPromoter< char > | |
| ►NDB | |
| ►NConfigIO | |
| CImportData | Data structure for data import results |
| CResult | Data structure for mapping / import results |
| ►CSelection | |
| CCompare | |
| CConstructImpl | |
| CInterfaceData | |
| CDatabase | |
| CSelected | Returns true if configuration is specified in given selection (default: MASTER) |
| CValDatabase | Generic interface for database of a particular CASM type |
| CRemove< Supercell > | |
| CDatabaseIterator | Wrapper class for specializations DatabaseIteratorBase |
| CCache | Store data in JSON |
| CTypeTag | |
| CConfigData | |
| CStructureMap | |
| CDatabase< Configuration > | |
| CStructureMap< Configuration > | |
| CImport< Configuration > | Configuration-specialized Import |
| CUpdate< Configuration > | Configuration-specialized Import |
| CDatabaseBase | Fully generic database interface for use by DatabaseHandler |
| CDatabaseIteratorBase | |
| ►CDatabaseHandler | Provides access to all databases |
| CPropDBKey | |
| CDatabaseNameIterator | DatabaseIterator for implementations using std::map<std::string, ObjIterator> |
| CDatabaseSetIterator | DatabaseIterator for implementations using std::set<ValueType> |
| CImportSettings | Struct with optional parameters for Config/Data Import Specifies default parameters for all values, in order to simplify parsing from JSON |
| CImportT | Generic ConfigType-dependent part of Import |
| CImport | |
| CjsonDatabase | |
| ►CjsonDB | |
| CDirectoryStructure | |
| CjsonDatabase< Supercell > | |
| CjsonDatabase< Configuration > | |
| CjsonPropertiesDatabaseIterator | |
| CjsonPropertiesDatabase | An implementation of PropertiesDatabase for reading/writing JSON |
| CNamed | |
| CIndexed | |
| CPropertiesDatabaseIteratorBase | |
| CPropertiesDatabaseIterator | Wrapper class for specializations PropertiesDatabaseIteratorBase |
| ►CPropertiesDatabase | |
| CCompare | Compare type for std::set<std::string, Compare>, which sorts to determine the 'origin' configname for the best scoring MappedProperties to a particular config |
| CRemoveT | Generic ConfigType-dependent part of Remove |
| CRemove | |
| CDatabase< Supercell > | |
| CSelectionIterator | |
| CUpdateT | Generic ConfigType-dependent part of Import |
| CUpdate | |
| CEraseScelConfigsBase | Helper struct base class |
| CEraseScelConfigs | |
| CEraseDataScelConfigs | |
| CEraseAllScelConfigs | |
| NDiffClexParamPack_impl | |
| ►NDoF | |
| CRemoteHandle | |
| CBase | A class that represents an individual Degree of Freedom |
| ►NDoF_impl | |
| ►NOccupationDoFSpecs_impl | |
| COccupationDoFSpecsValidator | |
| CDisplacementDoFTraits | |
| CMagSpinDoFSpecs | |
| CMagSpinDoFTraits | |
| CSublatComp | |
| COccupationDoFSpecs | |
| COccupationDoFTraits | |
| CStrainDoFTraits | |
| NDoFSpace_impl | |
| ►NDoFSpaceIO | |
| ►COutputImpl | |
| CError | Provide state_index, indentifier, and dof_key for any errors |
| CDirectoryOutput | |
| CSymmetryDirectoryOutput | Implementation that outputs to <casm_project>/symmetry/analysis/<configname> |
| CSequentialDirectoryOutput | Implementation that outputs to <output_dir>/dof_space/state.<index> |
| CCombinedJsonOutput | |
| CDoFSpaceAnalysisOptions | |
| ►NDoFType | |
| CTraits | Collection of all the traits specific to a DoF type |
| CParamAllocation | |
| NFunctionLabel_impl | |
| NHull_impl | |
| NHungarianMethod_impl | |
| ►NLocal | |
| CIrrepCompare | |
| C_RealType | |
| C_RealType< std::vector< T > > | |
| C_RealType< Eigen::Matrix< Scalar, RowsAtCompileTime, ColsAtCompileTime > > | |
| Nlocal_impl | |
| Nmake_report_impl | |
| ►NMonte | |
| CCanonical | |
| CCanonicalConditions | |
| CCanonicalEvent | Data structure for storing information regarding a proposed grand canonical Monte Carlo event |
| CCanonicalSettings | |
| CConversions | |
| CSiteMod | Describes the modification of a variable on a basis site |
| CGrandCanonical | |
| CGrandCanonicalConditions | |
| CGrandCanonicalEvent | Data structure for storing information regarding a proposed grand canonical Monte Carlo event |
| CGrandCanonicalSettings | |
| CMCData | MCData stores observations of properties |
| CMCDataEquilibration | Checks if a range of observations have equilibrated |
| CMCDataConvergence | Checks if a range of observations have converged |
| CSamplerNameCompare | |
| CMonteCarlo | Interface base class for all types of Monte Carlo simulations (not meant to be used polymorphically) |
| CMonteCarloEnumMetric | |
| CMonteCarloEnumCheck | |
| CMonteCarloEnum | |
| CMonteCounter | Track the number of passes, steps and samples taken in a Monte Carlo calculation |
| CMonteDriver | |
| CMonteCarloDirectoryStructure | |
| CCovEvaluator | Functor to help evaluate covariance |
| CMonteSampler | An abstract base class for sampling and storing data observations |
| CScalarMonteSampler | Sampler for a scalar property |
| CVectorMonteSampler | Sampler for individual elements of a vector property |
| ►CQueryMonteSampler | Sampler for individual elements of a vector property |
| CFormatter | Data structure to make queries occur once each sample time |
| CCompMonteSampler | Sampler for parametric composition |
| CSiteFracMonteSampler | Sampler for site fraction |
| CAtomFracMonteSampler | Sampler for atom fraction |
| CMonteSettings | Settings for Monte Carlo calculations |
| CEquilibriumMonteSettings | |
| COccCandidate | |
| COccSwap | Store swap type, mutating sites, and info for keeping OccLocation up-to-date |
| COccCandidateList | |
| CSpecies | Represents an indivisible molecule component |
| CMol | Represents the occupant on a site |
| COccTransform | |
| CSpeciesLocation | |
| CSpeciesTraj | |
| COccEvent | |
| COccLocation | Stores data to enable efficient proposal and update of occupation mutation |
| CSiteExchanger | |
| ►Nmultivector_impl | |
| Cmultivector_tmp | |
| Cmultivector_tmp< T, 0 > | |
| Nnormal_form_impl | |
| ►NOrbit_impl | |
| CEqMapRow | |
| CRelEqMap | |
| Nparse_OccupationDoFSpecs_impl | |
| ►NParsingDictionary_impl | |
| CDictionaryConverter | Conversion Functor for inserting BasicTraits into unique_cloneable_map |
| Nquery_impl | |
| NQueryIO | |
| Nref_impl | |
| ►NScelIO | |
| CSupercellCheckBase | |
| CIsSupercellOf | |
| CIsUnitcellOf | |
| CTransfMat | |
| CConfigCountBase | |
| CNconfig | |
| CNcalc | |
| CNdata | |
| NSharedPrim_dataformatter_impl | |
| ►Nsimpleformatter | |
| CDataFormatter | |
| CDatumFormatterOptions | |
| CBaseDatumEvaluator | |
| CDatumEvaluator | |
| CVectorizedDatumEvaluator | |
| CDatumEvaluatorEntry | |
| CDatumEvaluatorDictionary | |
| Nstrain | |
| ►NSubOrbits_impl | |
| COpCompare | |
| NSupercellSymInfo_dataformatter_impl | |
| Nsym | |
| NSymRepBuilder | |
| ►NSymRepTools | |
| CIrrepInfo | |
| CIrrepWedge | An irreducible wedge in an irreducible vector space |
| CSubWedge | SubWedge is a vector of IrrepWedge, one from each irreducible subspace Together, the IrrepWedges that comprise the Subwedge span the entire space However, it is likely that the orbit of equivalent SubWedges does not fill the entire space |
| ►NSymRepTools_v2 | |
| ►NIrrepDecompositionImpl | |
| CCommuterParamsCounter | |
| CPossibleIrrep | Data structure used for storing and checking possible irreps |
| NIrrepWedgeImpl | |
| CIrrepInfo | |
| CIrrepDecomposition | Performs irreducible subspace construction and symmetrization |
| CIrrepWedge | An irreducible wedge in an irreducible vector space |
| CSubWedge | |
| C_RealType | |
| C_RealType< std::vector< T > > | |
| C_RealType< Eigen::Matrix< Scalar, RowsAtCompileTime, ColsAtCompileTime > > | |
| CVectorSpaceSymReport | Summary of data associated with the action of a symmetry group on a vector space |
| CVectorInvariants | Used for generating SimpleOrbit of high symmetry direction vectors |
| CVectorSymCompare | Used for constructing SimpleOrbit of high symmetry direction vectors |
| ►NVaspIO | Functions and classes related to VASP input/output |
| CPrintPOSCAR | Print POSCAR with formating options |
| ►Nxtal | |
| Ncanonical | |
| ►NCoordinate_impl | |
| 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 |
| 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 |
| NHermiteCounter_impl | |
| ►Nimpl | |
| COrderedLatticePointGenerator | |
| NLocal | |
| NSimpleStructureTools | |
| NSpeciesAttribute_impl | |
| NStrucMapping | |
| CBasicStructure | BasicStructure specifies the lattice and atomic basis of a crystal |
| CCoordinate | Represents cartesian and fractional coordinates |
| CCOORD_MODE | COORD_MODE specifies the current coordinate mode (Fractional or Cartesian) |
| CPERIODICITY_MODE | |
| CDoFSet | |
| CSiteDoFSet | |
| CDoFSetIsEquivalent_f | |
| CSiteDoFSetIsEquivalent_f | |
| CHermiteCounter | |
| CIntegralCoordinateWithin_f | |
| CLattice | |
| CLatticeIsEquivalent | Lattice comparisons |
| CIsPointGroupOp | Checks if operations are point group operations |
| CStrainCostCalculator | |
| CLatticeMap | |
| CUnitCellCoordIndexConverter | |
| CUnitCellIndexConverter | |
| C_LinearIndexConverter | |
| C_LinearIndexConverter< UnitCell > | |
| C_LinearIndexConverter< UnitCellCoord > | |
| CAtomPosition | An atomic species associated with a position in space |
| CMolecule | Class representing a Molecule |
| CNiggliRep | |
| CStandardOrientationCompare | |
| CSimpleStrucMapCalculator | |
| ►CSimpleStructure | Representation of a crystal of molecular and/or atomic occupants, and any additional properties. It does not require a primitive Structure or BasicStructure object to act as a reference and can be thought of as the class that embodies all the information of a config.json or properties.calc.json file |
| CInfo | Struct to encode all information about the crystal basis Info may describe the basis in a atomic context or molecular context Within a particular context, species are considered indivisible points If both contexts are present within the SimpleStructure, they are assumed to be different representation of the same crystal basis. The only difference is that the 'atomic' context separates each molecule into its constituent atoms. SimpleStructure DOES NOT TRACK how the molecular and atomic representations are related |
| CSite | |
| CSpeciesAttribute | |
| CStrucMapCalculatorInterface | |
| CLatticeNode | Class describing the lattice-mapping portion of a particular mapping A general map for child_struc onto parent_struc may require forming a supercell of parent_struc (most commonly) and/or of child_struc. As such, the LatticeNode is specified in terms of superlattices of both parent_struc and child_struc, as well as deformation and rotation information sufficient to fully define the lattice map |
| CAssignmentNode | Structure to encode the solution of a constrained atomic assignmnet problem This describes the permutation, translation, and time-reversal of the atoms of a child structure to bring them into registration with the atoms of a parent structure (assuming periodic boundary conditions). Also records the constrained and unconstrained assignment costs |
| CMappingNode | |
| CStrucMapper | |
| CSuperlattice | |
| CScelEnumProps | Data structure for holding supercell enumeration properties |
| CSuperlatticeIterator | Iterators used with SuperlatticeEnumerator |
| CSuperlatticeEnumerator | A fake container of supercell matrices |
| CSymOp | |
| CSymOpCompare_f | |
| CSymOpPeriodicCompare_f | |
| CSymOpMatrixCompare_f | |
| CUnitCell | Unit Cell Indices |
| CTranslatable | CRTP class to implement '-=', '+', and '-' in terms of '+=' |
| CUnitCellCoord | Unit Cell Coordinates |
| CAPICommandBase | |
| CAPICommand | |
| CBsetCommand | 'casm enum' implementation |
| CCommandArgs | Data structure holding basic CASM command info |
| CInterfaceBase | Base class for generic use of algorithms through the API |
| CClexDescription | Specifies a particular cluster expansion |
| CCLIParse | |
| CQueryTraits | |
| CDirectoryStructure | Specification of CASM project directory structure |
| CConfigEnumData | |
| CConfigEnumOptions | Options for the enumerate_configurations function |
| CEnumerateSupercellsOptions | Options for the enumerate_supercells function |
| CEnumInterfaceBase | |
| CInputParser | |
| CConfigEnumAllOccupationsInterface | Interface for ConfigEnumAllOccupations |
| CConfigEnumRandomLocalInterface | Interface for ConfigEnumRandomLocal |
| CConfigEnumRandomOccupationsInterface | Interface for ConfigEnumRandomOccupations |
| CConfigEnumSiteDoFsInterface | Interface for ConfigEnumSiteDoFs |
| CConfigEnumStrainInterface | Interface for ConfigEnumStrain |
| CScelEnumInterface | Interface for ScelEnum |
| CSuperConfigEnumInterface | Interface for SuperConfigEnum |
| CEnumCommand | |
| CEnumeratorHandler | |
| Cruntime_error | |
| CFileEnumerator | Lists all files in a CASM project, for use with 'casm files' command |
| CParsingDictionary | Parsing dictionary for obtaining the correct MoleculeAttribute given a name |
| CHamiltonianModules | |
| CImportCommandImpl | |
| CImportCommand | |
| CInfoInterfaceBase | |
| CNeighborListInfoInterface | Interface for neighbor list info |
| CPrimInfoInterface | Interface for prim info |
| CSupercellInfoInterface | Interface for supercell info |
| CInfoCommand | |
| CQueryHandler | |
| CProjectSettings | |
| CjsonConstructor | Helper struct for constructing objects that need additional data |
| CjsonConstructor< ProjectSettings > | |
| CQueryData | |
| CQueryCommandImpl | |
| CQueryCommand | |
| CRmCommandImpl | |
| CRmCommand | |
| CSelectCommandImpl | |
| CSelectCommand | |
| CSymCommand | |
| CUpdateCommandImpl | |
| CUpdateCommand | |
| CSparseTensor | |
| CFunction | |
| CInnerProduct | |
| CFunctionOperation | |
| CDoFSpecs | |
| CBasisFunctionSpecs | Specify how to construct basis functions |
| CBasisSet | |
| COccupantDoF | |
| CDiscreteDoF | |
| CContinuousDoF | |
| CDoFIsEquivalent | Class for checking equivalence of two DoFSet objects, with respect to symmetry transformations |
| COccupantDoFIsEquivalent | Class for checking equivalence of two OccupantDoF objects, with respect to symmetry transformations |
| CDoFSetInfo | |
| CDoFSet | |
| CArray | Basic std::vector like container (deprecated) |
| CFunctionVisitor | |
| COccFuncLabeler | |
| COccFuncBasisIndexer | |
| COccFuncEvaluator | Evaluates |
| CVariableLabeler | |
| CSubExpressionLabeler | |
| COccupantFunction | |
| COccOccOperation | |
| CPolynomialFunction | |
| CBasicPolyPolyScalarProd | |
| CPolyPolyOperation | |
| CPolyVarOperation | |
| CPolyOccOperation | |
| CVariable | |
| CBasicVarVarScalarProd | |
| CVarVarOperation | |
| ►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 |
| CBaseDatumFormatter | Abstract base class from which all other DatumFormatter<DataObject> classes inherit |
| CFormattedPrintable | Abstract base class to enable generic formatting |
| CDictionaryConverter | |
| CDataFormatterDictionary | Parsing dictionary for constructing a DataFormatter<DataObject> object |
| CDataFormatterOperator | DataFormatters that operate on the results of other DataFormatters |
| CDatumFormatterAlias | Implements a DatumFormatter that is an alias for a combination of others |
| CConstantValueFormatter | Prints a string value specified at construction. A header string can also be passed |
| CBaseValueFormatter | Base class for creating scalar DatumFormatter |
| CGenericDatumFormatter | A DatumFormatter that returns a value of specified type, via functions that may be specified at runtime |
| CBase1DDatumFormatter | Abstract base class for creating 1D DatumFormatter |
| CGeneric1DDatumFormatter | A DatumFormatter that returns a 1D value of specified type, via functions that may be specified at runtime |
| CBase2DDatumFormatter | A DatumFormatter that returns a value of specified 2d container |
| CGeneric2DDatumFormatter | A DatumFormatter that returns a 2D value of specified type, via functions that may be specified at runtime |
| CDataFormatterFilter | |
| CDataStream | |
| CCountDataStream | |
| CValueDataStream | |
| CVectorDataStream | |
| CDatumFormatterAdapter | |
| CMatrixXdDataStream | |
| CLabeledMatrixXdDataStream | |
| CFormattedDataFileOptions | |
| CFormattedDataFile | |
| Ctraits | |
| CFileData | Interface class to check and/or store path and last_write_time of file on disk. Used to determine if files have been updated or deleted |
| CFormatFlag | |
| CKwargsParser | |
| CParentInputParser | |
| CjsonFile | Slightly more compact construction of jsonParser from file |
| CjsonParserIterator | |
| ►CjsonParser | |
| Cas_array | |
| Cas_flattest | |
| CjsonMake | Helper struct for constructing objects that need additional data |
| CjsonConstructor< std::optional< T > > | Helper struct for constructing std::optional<T> objects |
| CLogText | |
| CLogParagraph | |
| CLogVerbatim | |
| CLog | |
| CFixedLog | A Log whose underlying ostream* cannot be reset |
| COStringStreamLog | |
| CScopedLogging | |
| CScopedNullLogging | |
| CScopedStringStreamLogging | |
| CSafeOfstream | Write to a temporary file to ensure a good write, then rename |
| CBasicClexParamKey | |
| CBasicClexParamPack | Abstract base class for reading/writing clexulator parameters Parameters are assume be naturally representable as 1D or 2D arrays |
| CValAccess< double > | |
| Ctraits< BasicClexParamPack::EvalMode > | |
| CCalculable | |
| CChemicalReferenceState | Stores the composition and energy in a single reference state |
| CChemicalReference | |
| CChemicalReferencePrinter | BasicStructure to help print ChemicalReference |
| CClex | Pair of Clexulator and ECIContainer |
| CClexBasis | |
| CClexBasisSpecs | Provides parameters for constructing a cluster expansion basis (ClexBasis) |
| CClexBasisWriter | |
| CValAccess | |
| CParamPackMixIn | ParamPackMixIn is interface class to control ClexParamPack portion of Clexulator printing Used primarily by ClexBasisWriter |
| CClexParamKey | Key for indexing clexulator parameters Contains pointer to implementation of the Key |
| CClexParamPack | Abstract base class for reading/writing clexulator parameters Parameters are assumed to be stored as, or at least sliceable into, 2D or 1D arrays in order to standardize read/write interface via Eigen types Arrays are layed out along two dimensions to form (m x N) or (m x 1) matrices where 'N' is the number of sites in the neighborhood of a unit cell, and 'm' is the intrinsic dimension of a particular parameter. Macroscopic or homogeneous properties of the crystal, such as evaluated crystal basis functions or homogeneous strain, which are not associated with individual sites, are represented as a (m x 1) array. The length of the 'm' dimension of a parameter array is referred do as 'dim' and the length of the N' dimension is referred to as 'size' |
| CClexulator | Evaluates correlations |
| CCompositionAxes | |
| CCompositionConverter | Convert between number of species per unit cell and parametric composition |
| CGenericConfigCompare | Class for less than comparison of Configurations implemented via a ConfigTypeIsEqual class that also stores the less than result |
| CConfigDoF | |
| CConfigDoFCompare | Wrapper class for generic less than comparison of ConfigDoF |
| CConfigDoFValues | |
| CLocalDiscreteConfigDoFValues | |
| CLocalContinuousConfigDoFValues | |
| CGlobalContinuousConfigDoFValues | |
| CConfigEnumAllOccupations | |
| CConfigEnumByPermutation | Enumerate all equivalent Configurations obtained by permuations in a Supercell |
| CConfigEnumRandomLocalParams | Parameters controlling ConfigEnumRandomLocal |
| CConfigEnumRandomLocal | Enumerate random values for continuous degrees of freedom |
| CConfigEnumRandomOccupationsParams | Parameters controlling ConfigEnumRandomOccupations |
| CConfigEnumRandomOccupations | Enumerate n random occupations in a particular Supercell |
| CConfigEnumSiteDoFsParams | |
| CConfigEnumSiteDoFs | |
| CConfigEnumStrainParams | |
| CConfigEnumStrain | |
| CNorm | |
| CConfigIsEquivalent | Class for comparison of Configurations (with the same Supercell) |
| CPrimStrucMapCalculator | |
| ►CConfigMapperResult | Data structure holding results of ConfigMapper algorithm |
| CIndividual | |
| CConfigMapper | |
| CConfiguration | |
| CConfigInsertResult | Holds results of Configuration::insert |
| CRefToCanonicalPrim | Operations that transform a canonical primitive configuration to any equivalent |
| Ctraits< Configuration > | |
| CDiffClexParamKey | Abstract base class for all keys that interact with DiffClexParamPack DiffClexParamPack values are assumed to be 1D, 2D, or to be naturally accessed via 2D slices Standalone values are assumed to be 1D or 2D (for example, a 3xN displacement field) Derived values typically have more dimensions (for example, the derivative of the Mx1 correlation vector with respect to the displacement field has 3 indices, whild the second derivative wrt the displacement field has 5 indices). Derivatives are always asociated with the first independent standalone value in the key name. The key "diff/corr/disp_var" would be associated with "disp_var", which is a 3xN Matrix, and thus the resulting derived value (which is the first derifative of correlations with respect to displacements) will be sliced into 3xN slices. Each slice corresponds to a particular entry in the Mx1 correlation vector (i.e., slice 'j' is the gradient of correlation value j with respect to the entire set of displacement variables). The 'j' index that specifies the particular slice is called a 'secondary identifier', and it can be specified via ClexParamKey::set_identifiers() |
| CDiffScalarContainer | Container struct for storing a standalone value as 2D arrays of both autodiff Scalars doubles |
| CDiffClexParamPack | Class for managing the set of all dependent and independent paramters used/generated by clexulator |
| CDiffClexParamValKey | |
| CDiffClexParamGradKey | |
| CDiffClexParamHessKey | |
| Ctraits< DiffClexParamPack::EvalMode > | |
| CValAccess< typename DiffClexParamPack::DiffScalar > | |
| CECIContainer | A sparse container of ECI values and their corresponding orbit indices |
| CFillSupercell | |
| CFilteredConfigIterator | |
| CCanonicalForm | Implements canonical form finding when using SymCompare |
| CConfigCanonicalForm | Implements canonical form finding for Configuration and DiffTransConfiguration |
| CSupercellCanonicalForm | |
| CHasPrimClex | Implements PrimClex dependent functions |
| CHasSupercell | Implements PrimClex dependent functions |
| CjsonConstructor< HyperPlaneReference > | |
| CjsonConstructor< ChemicalReference > | Read chemical reference from JSON |
| CjsonMake< ConfigDoF > | |
| CjsonConstructor< ConfigDoF > | |
| CjsonConstructor< Configuration > | |
| CjsonMake< Configuration > | |
| CProtoFuncsPrinter | Print Orbit<SymCompareType> & ClexBasis, including prototypes and prototype basis functions |
| CClexBasisFunctionPrinter | |
| CMappedProperties | |
| ►CScoreMappedProperties | |
| COption | |
| CPrimNeighborList | The PrimNeighborList gives the coordinates of UnitCell that are neighbors of the origin UnitCell |
| CSuperNeighborList | |
| CNormPerUnitCell | |
| CNormPerSpecies | |
| CClexBasisBuilder | |
| COrbitFunctionTraits | Virtual base class for printing orbit functions of type specified by implementation |
| CInvariantPolyBasisBuilder | |
| CInvariantPolyOrbitFunctionTraits | |
| CParamComposition | |
| ►CPrimClex | PrimClex is the top-level data structure for a CASM project |
| CPrimClexData | |
| CConstantReference | Maps all Configurations to the same value |
| CHyperPlaneReferenceBase | Maps a Configuration to a scalar value via a hyperplane |
| CHyperPlaneReference | Maps a Configuration to a scalar value via a hyperplane |
| CScelEnumByProps | |
| CScelEnumEquivalents | Enumerate equivalent Supercell |
| CScelCanonicalGenerator | Functor to find the canonical generating element for an orbit in a Supercell |
| CScelIsCanonical | Functor to find to check if element is in canonical form |
| CConfigIterator | |
| CSupercell | Represents a supercell of the primitive parent crystal structure |
| Ctraits< Supercell > | |
| CSuperConfigEnum | Given a selection of Configurations, enumerate all tilings into some supercell |
| CClusterInvariants | Stores cluster invariants: number of sites and site distances |
| CWithinScelClusterInvariants | Stores cluster invariants: number of sites and site distances (using robust_min_dist) |
| COrbitGenerators | Data structure that holds canonical generating elements and can then make sorted orbits |
| CIntegralClusterOrbitGenerator | |
| COrbitBranchSpecs | Store data used to generate an orbit branch of IntegralCluster |
| CClusterSpecs | |
| CPeriodicMaxLengthClusterSpecs | |
| CLocalMaxLengthClusterSpecs | Parameters most commonly used for local orbit generation |
| CGenericPeriodicClusterSpecs | |
| CGenericLocalClusterSpecs | |
| CClusterSymCompare | CRTP Base class for common cluster symmetry and comparison implementations |
| CAperiodicSymCompare< Element > | Comparisons of clusters using aperiodic symmetry |
| CPrimPeriodicSymCompare< Element > | Comparisons of clusters using prim periodic symmetry |
| CScelPeriodicSymCompare< Element > | Comparisons of clusters using supercell periodic symmetry, but without periodic images |
| CAperiodicSymCompare | Template class to be specialized for comparisons with aperiodic symmetry |
| CPrimPeriodicSymCompare | Template class to be specialized for comparisons with periodic symmetry of the primitive lattice |
| CScelPeriodicSymCompare | Template class to be specialized for comparisons with periodic symmetry of the supercell lattice |
| CGenericCluster | A CRTP base class for a cluster of anything |
| Ctraits< IntegralCluster > | Traits, required for GenericCluster |
| CIntegralCluster | |
| CIntegralClusterSymCompareTraits | |
| Ctraits< AperiodicSymCompare< IntegralCluster > > | |
| Ctraits< PrimPeriodicSymCompare< IntegralCluster > > | |
| Ctraits< ScelPeriodicSymCompare< IntegralCluster > > | |
| CjsonConstructor< IntegralCluster > | |
| COrbitPrinterOptions | |
| CjsonConstructor< OrbitPrinterOptions > | |
| CPrinterBase | |
| CPrinter | |
| CPrinter< IntegralCluster > | |
| COrbitPrinter | |
| COrbitPrinter< _Element, ORBIT_PRINT_MODE::PROTO > | Print Orbit<SymCompareType>, including only prototypes |
| COrbitPrinter< _Element, ORBIT_PRINT_MODE::FULL > | Print Orbit<SymCompareType>, including all equivalents |
| CSubClusterGenerator | Generates subclusters of a cluster with an iterator-like interface |
| CClusterSiteIndicesCompare | Sort std::set<Index> by size, then value (lexicographical compare) |
| CReturnArray | |
| CArraySizeLessThan | |
| CCounterValueIterator | |
| CBaseCounter | A Counter allows looping over many incrementing variables in one loop |
| CContainerTraits | Specialize container traits Expects: |
| CContainerTraits< std::vector< _value_type, Allocator > > | |
| CContainerTraits< Eigen::Matrix< _value_type, a, b, c, d, e > > | Eigen::MatrixXd container traits |
| CCounter | A Counter allows looping over many incrementing variables in one loop |
| Ctraits< Counter< _Container, _value_type, _size_type, _Access, _Compare > > | |
| CIsoCounter | A IsoCounter allows looping over many incrementing variables in one loop |
| Ctraits< IsoCounter< _Container, _value_type, _size_type, _Access, _Compare > > | |
| CMultiCounter | |
| CCounterValueIterator< MultiCounter< SubCounterType > > | |
| Cmultivector | Shortcut for multidimensional vector (std::vector< std::vector< ...) |
| CPermutation | |
| CPolyTrie | |
| CPTNode | |
| CPTLeaf | |
| CPTIterator | |
| CGramSchmidt | |
| CDynamicMatrix | |
| CReturnTensor | |
| CTensor | |
| CTensorBasis | |
| CAnisoValTraits | Specifies traits of (possibly) anisotropic crystal properties |
| CjsonConstructor< xtal::AtomPosition > | |
| CjsonConstructor< xtal::Molecule > | |
| CjsonConstructor< xtal::Site > | |
| CjsonConstructor< xtal::SiteDoFSet > | |
| CjsonConstructor< xtal::DoFSet > | |
| CSimpleJSonSiteStructure | Used to construct a BasicStructure from a 'properties.calc.json' object |
| CjsonConstructor< xtal::ScelEnumProps > | Make a ScelEnumProps object from JSON input |
| CLatticeEnumEquivalents | Enumerate equivalent Lattics, given a SymGroup |
| CStructure | Structure specifies the lattice and atomic basis of a crystal |
| CSymRepBuilderInterface | Abstract base class that provides interface for converting cartesian isometry to specialized transformation matrix Given a symmetry operation as a 3x3 orthogonal matrix acting on Cartesian space, a 3x1 Cartesian translation, and a time-reversal flag (true indicates +t goes to -t and false indicates +t goes to +t), returns a particular NxN matrix transformation whose dimension and value depends on the underlying implementation |
| CTemplateSymRepBuilderBase | |
| CNullSymRepBuilder | Un-cloneable class for specifying absence of valid SymRepBuilder |
| CCartesianSymRepBuilder | Builds symmetry representation as the Cartesian matrix of povided SymOp |
| CKroneckerSymRepBuilder | Builds symmetry representation as the Kronecker product of two other representations |
| CIdentitySymRepBuilder | Builds symmetry representation as the 'dim' x 'dim' identity matrix, regardless of symop |
| CAngularMomentumSymRepBuilder | Builds symmetry representation that is the angular momentum symmetry representation of provided symop |
| CTimeReversalSymRepBuilder | Builds symmetry representation that is 'dim'x'dim' +Identity (-Identity) matrix if time_reversal is false (true) |
| CRank2TensorSymRepBuilder | Build 6x6 symmetry representation for a rank 2 Cartesian tensor represented in Kelvin notation |
| CTimeReversalSwapSymRepBuilder | |
| CdOrbitalOccupationSymRepBuilder | |
| CdOrbitalOccupationSpinPolarizedSymRepBuilder | |
| CCopyApplyWithPrim_crtp | |
| Ctraits< CASM::xtal::UnitCellCoord > | |
| Ctraits< DB::jsonDB > | |
| CConfigEnumInput | |
| CDoFSpace | |
| Cmake_symmetry_adapted_dof_space_error | |
| CVectorSpaceMixingInfo | A struct which gives out the mixing information of given column_vector_space and a subspace |
| CEnumeratorBase | Abstract base class for enumerators |
| CValEnumerator | |
| CEnumIteratorBase | |
| CValEnumIterator | |
| CInputEnumeratorBase | Base class for implementing specialized input enumerators |
| CInputEnumIterator | |
| CInputEnumIteratorBase | |
| CInputEnumerator | Generic input enumerator |
| CjsonConstructor< ConfigEnumInput > | Read ConfigEnumInput from JSON |
| CjsonConstructor< DoFSpace > | |
| CjsonMake< DoFSpace > | |
| CAxesCounterParams | Data structure used for continuous DoF enumeration IO |
| CRandomAccessEnumIterator | The iterator type for RandomAccessEnumerator |
| CRandomAccessEnumeratorBase | Base class for implementing specialized random access enumerators |
| CRandomAccessEnumerator | Generic random access enumerator |
| CRandomAccessEnumIteratorBase | RandomAccessEnumIterator implemenation |
| CUnaryCompare_f | |
| Clibcasm_runtime_error | |
| ►CHull | Generate and inspect the convex hull generated from a selection of Configurations |
| CCompareVertex | |
| CFloatCompare | |
| CFilterIterator | |
| ►CHallOfFame | A container for storing best scoring objects |
| CCompare | |
| CInsertResult | Results data structure for HallOfFame::insert |
| CHierarchyID | |
| CDerivedID | |
| CPCA | Principle component analysis |
| CValidator | Data structure to hold error and warning messages |
| CjsonConstructor< Monte::OccCandidate > | |
| CjsonConstructor< Monte::OccSwap > | |
| CStrainConverter | |
| CEnumEquivalents | Enumerate over all equivalents |
| Ctraits< EnumEquivalents< ObjectType, SymOpIterator, SymOpType, SymOpCompare > > | |
| CjsonConstructor< SymInfoOptions > | |
| CSymInfoOptions | Options for printing SymInfo |
| COrbit | An Orbit of Element |
| CGetPrototype | |
| CGetInvariants | |
| CSymCompare | CRTP base class for implementing element and orbit comparison |
| COrbitGeneratorCompare | Compare concept functor for canonical generating elements |
| CCanonicalGenerator | Functor to find the canonical generating element for an orbit |
| CIsCanonical | Functor to find to check if element is in canonical form |
| CPermuteIterator | |
| CjsonConstructor< PermuteIterator > | |
| CSimpleOrbit | |
| CMakeSubOrbitGenerators | Output the orbit generators necessary to construct the sub-orbits corresponding to group -> subgroup symmetry breaking |
| CSupercellSymInfo | A class that collects all symmetry information for for performing symmetry transformations on the site indices, site DoFs, and global DoFs of a Supercell or Configuration |
| 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 |
| CMasterSymGroup | |
| 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 |
| CSymRepIndexCompare | |
| 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 |
| CVectorSpaceSymReport | Summary of data associated with the action of a symmetry group on a vector space |
| CVectorSymCompare | |
| CVectorInvariants | |
| CDirectionSymCompare | |
| Ctraits< DirectionSymCompare< _Element, _SymApply > > | Traits class for DirectionSymCompare |
| CSubspaceSymCompare | |
| Ctraits< SubspaceSymCompare< _Element, _SymApply > > | Traits class for SubspaceSymCompare |
| Ctraits< VectorSymCompare< Base > > | Traits class for VectorSymCompare |
| CEigenSymCompare | CRTP Base class for Vector comparisons |
| CEigenSymRepApply | |
| CPopen | Remember how to use popen |
| Cruntime_lib_compile_error | |
| Cruntime_lib_shared_error | |
| CRuntimeLibrary | Write, compile, load and use code at runtime |
| CImportCommandImplBase | Defaults used if DataObject type doesn't matter or not given |
| CQueryCommandImplBase | Defaults used if DataObject type doesn't matter or not given |
| CRmCommandImplBase | Defaults used if DataObject type doesn't matter or not given |
| CSelectCommandImplBase | Defaults used if DataObject type doesn't matter or not given |
| CPrintDetails | |
| CUpdateCommandImplBase | Defaults used if DataObject type doesn't matter or not given |
| CWriteBasisSetDataImpl | Write clust.json, basis.json, and clexulator source code, given orbits |
| CPolyWriter | |
| NEigen | |
| NLocal | |
| ►Nnotstd | Non-std smart pointer classes and functions |
| CCloneable | Base class for cloning |
| Ccloneable_ptr | A 'cloneable_ptr' can be used in place of 'unique_ptr' |
| Chas_clone | Base type inherits from std::false_type if T does not have clone method |
| Chas_clone< T, void_t< decltype(&T::clone)> > | Specialized case inherits from std::true_type if T does have clone method |
| Chas_move | Base type inherits from std::false_type if T does not have move method |
| Chas_move< T, void_t< decltype(&T::move)> > | Specialized case inherits from std::true_type if T does have move method |
| CComparisons | Implements other comparisons in terms of '<' |
| CCRTPBase | Base class for CRTP pattern |
| Cmake_void | Alias for void, to help SFINAE work |
| Cfunction_traits | Deduces return type and argument types for non-generic labmdas and functors |
| ►Cfunction_traits< ReturnType(ClassType::*)(Args...) const > | |
| Carg | |
| CGetSecondDereferenced | |
| CGetSecondDereferencedConst | |
| CUniqueMapIterator | An iterator over a UniqueMap |
| CGetSecond | |
| CGetSecondConst | |
| Cunique_map | Std::map wrapper to enforce a 1-1 ValueType->KeyType relationship |
| NorgQhull | QhullRidge – Qhull's ridge structure, ridgeT, as a C++ class |
| ►Nstd | |
| Cis_floating_point< CASM::xtal::Coordinate_impl::FracCoordinateComponent > | |
| Cis_floating_point< CASM::xtal::Coordinate_impl::CartCoordinateComponent > | |
| Chash< CASM::xtal::UnitCell > | |
| Chash< CASM::xtal::UnitCellCoord > | |
| Nsymmetrize_impl |
1.9.1