OpenMD 3.1
Molecular Dynamics in the Open
|
►Nantlr | |
CANTLRException | |
CAST | |
CASTArray | ASTArray is a class that allows ANTLR to generate code that can create and initialize an array in one expression, like: (new ASTArray(3))->add(x)->add(y)->add(z) |
CASTFactory | AST Super Factory shared by TreeParser and Parser |
CASTNULLType | There is only one instance of this class |
CASTPair | ASTPair: utility class used for manipulating a pair of ASTs representing the current AST root and current AST sibling |
CASTRef | |
CASTRefCount | |
CBaseAST | |
CBitSet | A BitSet to replace java.util.BitSet |
CCharBuffer | A Stream of characters fed to the lexer from a InputStream that can be rewound via mark()/rewind() methods |
CCharInputBuffer | CharInputBuffer.hpp provides an InputBuffer for plain character arrays (buffers) |
►CCharScanner | Superclass of generated lexers |
CTracer | Tracer class, used when -traceLexer is passed to antlr |
CCharScannerLiteralsLess | Functor for the literals map |
CCharStreamException | |
CCharStreamIOException | |
CCircularQueue | |
CCommonAST | |
CCommonASTWithHiddenTokens | A CommonAST whose initialization copies hidden token information from the Token used to create a node |
CCommonHiddenStreamToken | |
CCommonToken | |
CInputBuffer | A Stream of characters fed to the lexer from a InputStream that can be rewound via mark()/rewind() methods |
CIOException | Generic IOException used inside support code |
CLexerInputState | This object contains the data associated with an input stream of characters |
CLLkParser | An LL(k) parser |
CMismatchedCharException | |
CMismatchedTokenException | |
CNoViableAltException | |
CNoViableAltForCharException | |
►CParser | A generic ANTLR parser (LL(k) for k>=1) containing a bunch of utility routines useful at any lookahead depth |
CTracer | Utility class which allows tracing to work even when exceptions are thrown |
CParserInputState | This object contains the data associated with an input stream of tokens |
CRecognitionException | |
CRefCount | |
CSemanticException | |
CToken | A token is minimally a token type |
CTokenBuffer | A Stream of Token objects fed to the parser from a TokenStream that can be rewound via mark()/rewind() methods |
CTokenRef | |
CTokenRefCount | |
CTokenStream | This interface allows any object to pretend it is a stream of tokens |
CTokenStreamBasicFilter | This object is a TokenStream that passes through all tokens except for those that you tell it to discard |
CTokenStreamException | Baseclass for exceptions thrown by classes implementing the TokenStream interface |
CTokenStreamHiddenTokenFilter | This object filters a token stream coming from a lexer or another TokenStream so that only certain token channels get transmitted to the parser |
CTokenStreamIOException | |
CTokenStreamRecognitionException | Exception thrown from generated lexers when there's no default error handler specified |
CTokenStreamRetryException | |
►CTokenStreamRewriteEngine | This token stream tracks the entire token stream coming from a lexer, but does not pass on the whitespace (or whatever else you want to discard) to the parser |
CDeleteOp | |
CexecuteOperation | |
CInsertBeforeOp | |
CReplaceOp | |
CRewriteOperation | |
CtokenToStream | |
CTokenStreamSelector | A token stream MUX (multiplexor) knows about n token streams and can multiplex them onto the same channel for use by token stream consumer like a parser |
CTokenWithIndex | |
►CTreeParser | |
CTracer | Utility class which allows tracing to work even when exceptions are thrown |
CTreeParserInputState | This object contains the data associated with an input AST |
►NJAMA | |
CEigenvalue | Computes eigenvalues and eigenvectors of a real (non-complex) matrix |
CQR | |
CSVD | Singular Value Decomposition |
►NOpenMD | This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel |
►NPerturbations | |
CLight | Applies an EM field representing light to the system |
CLightParameters | |
►NRNEMD | |
CMethodFactory | |
CNIVSMethod | |
CRNEMD | |
CRNEMDParameters | |
CSPFForceManager | |
CSPFMethod | |
CSwapMethod | |
CVSSMethod | |
►NUtils | |
►Ndetails | |
Cis_container | |
Cis_container< T, std::void_t< typename T::value_type, typename T::reference, typename T::const_reference, typename T::iterator, typename T::const_iterator, typename T::difference_type, typename T::size_type, decltype(std::declval< T >().begin()), decltype(std::declval< T >().end()), decltype(std::declval< T >().cbegin()), decltype(std::declval< T >().cend()), decltype(std::declval< T >().max_size()), decltype(std::declval< T >().empty())> > | |
CAccumulator | |
CAccumulator< Mat3x3d > | |
CAccumulator< std::vector< RealType > > | |
CAccumulator< Vector< RealType, Dim > > | |
CAccumulatorView | |
CAccumulatorView< Mat3x3dAccumulator > | |
CAccumulatorView< PotVecAccumulator > | |
CAccumulatorView< RealAccumulator > | |
CAccumulatorView< StdVectorAccumulator > | |
CAccumulatorView< Vector3dAccumulator > | |
CBaseAccumulator | |
Cci_char_traits | |
CRandNumGen | Minimize the interface for the standard library's Mersenne Twister PRNG while maintaining the UniformRandomBitGenerator named requirement |
CAccumulator | Basic Accumulator class for numbers |
CActionCorrFunc | |
CAlphaHull | Compute alpha complex or alpha shape |
CAlphaHullFinder | |
CAmberImproperTorsionType | "types/AmberImproperTorsionType.hpp" |
CAnalyticalModel | |
CAndParamConstraint | |
CAngleR | |
CAngularVelocityAutoOutProductCorrFunc | |
CAngularVelVelOutProdCorrFunc | |
CApproximateModel | |
CAtom | |
CAtomData | |
CAtomicBeadModel | |
CAtomInfo | |
CAtomNameVisitor | |
CAtomStamp | |
CAtomType | AtomType is what OpenMD looks to for unchanging data about an atom |
CAtomTypeCompare | |
CAtomTypesSectionParser | "io/AtomTypesSectionParser.hpp" |
CAutoCorrFunc | |
CBAOAB | Declaration of the Langevin Dynamics BAOAB Integrator |
CBaseAccumulator | |
CBaseAtomTypesSectionParser | "io/BaseAtomTypesSectionParser.hpp" |
CBaseAtomVisitor | |
CBaseRigidBodyVisitor | |
CBaseVisitor | |
Cbasic_teebuf | As a subclass of basic_streambuf, basic_teebuf can operate on multiple stream simultaneously |
CBCCLattice | |
CBeadModel | References: |
CBend | |
CBendData | |
CBendDataSet | |
CBendStamp | |
CBendType | |
CBendTypeParser | |
CBendTypesSectionParser | "io/BendTypesSectionParser.hpp" |
CBlockSnapshotManager | |
CBond | |
CBondAngleDistribution | BondAngleDistribution |
CBondCorrFunc | |
CBondOrderParameter | Bond Order Parameter |
CBondStamp | |
CBondType | BondType class is responsible for calculating the force and energy of the bond |
CBondTypeParser | |
CBondTypesSectionParser | "io/BondTypesSectionParser.hpp" |
CBOPofR | |
CBoundaryElementModel | |
CBoxObjectiveFunction | |
CBuckingham | |
CBuckinghamInteractionData | |
CBuckinghamInteractionType | BuckinghamInteractionType is one of the basic non-bonded interactions for representing the non-Coulombic contribution in ionic and networked solids like silica and alumina |
CCenterOfMass | |
CChargeAtomTypesSectionParser | |
CChargeDensityZ | |
CChargeField | |
CChargeHistogram | |
CChargeKineticCorrFunc | |
CChargeOrientationCorrFunc | |
CChargeR | |
CChargeZ | |
CCharmmTorsionParameter | |
CCharmmTorsionType | "types/CharmmTorsionType.hpp" These torsion types are defined identically with functional form given in the following paper: |
CChebyshevT | A collection of Chebyshev Polynomials |
CChebyshevU | A collection of Chebyshev Polynomials |
CCOHZ | |
CCollectiveDipoleDisplacement | Calculates the collective dipole displacement function |
CCommunicator | |
CComparator | |
CComponent | |
CCompositeShape | Combine composite pattern and visitor pattern |
CCompositeVisitor | |
CCOMVel | |
CConstraintData | |
CConstraintElem | An adapter class of StuntDouble which is used at constraint algorithm |
CConstraintPair | |
CConstraintStamp | |
CConstraintWriter | |
CContactAngle1 | Calculates the contact angle of a droplet with a surface using a spherical cap approximation for the droplet |
CContactAngle2 | |
CContainsConstraint | |
CConvexHull | |
CCoordinationNumber | CoordinationNumber |
CCosineBendType | A simple harmonic bend using the cosine of the angle instead of the angle itself: |
CCosineSeriesBendType | A bend used primarily in UFF that utilizes a Fourier series in terms of the cosine of the bend angle: |
CCrossCorrFunc | |
CCubicBendType | |
CCubicBondType | |
CCubicLattice | |
CCubicSpline | |
CCubicTorsionType | |
CCuboctahedron | Generates coordinates of atoms inside a Cuboctahedron |
CCurlingStoneDecahedron | |
CCurrentDensity | |
CCurrentDensityAutoCorrFunc | |
CCutoffGroup | |
CCutoffGroupStamp | |
CDataHolder | |
CDataStorage | |
CDecahedron | Creates the regular decahedron, Ino decahedron, or truncated (Marks) decahedron structures (depending on the parameters) |
CDefaultAtomVisitor | |
CDensityField | |
CDensityHistogram | |
CDensityPlot | |
CDipoleCorrFunc | |
CDipoleField | |
CDipoleOrientation | |
CDirectionalAdapter | |
CDirectionalAtom | |
CDirectionalAtomTypesSectionParser | |
CDirectionalAtypeParameters | |
CDirectionalRCorrFunc | |
CDisplacement | |
CDisplacementZ | |
CDistanceFinder | |
CDLM | |
CDumpReader | |
CDumpStatusFunction | |
CDumpWriter | |
CDynamicProperty | "applications/dynamicProps/DynamicProperty" |
CDynamicRectMatrix | Rectangular matrix class |
CDynamicVector | Dynamically-sized vector class |
CEAM | |
CEAMAdapter | |
CEAMAtomData | |
CEAMAtomTypesSectionParser | "io/EAMAtomTypesSectionParser.hpp" |
CEAMInteractionData | |
CEAMInteractionType | EAMInteractionType is one of the basic metallic interactions for representing the bonding in metallic solids |
CEAMParameters | |
CElectrostatic | |
CElectrostaticAtomData | |
CElectrostaticInteraction | The basic interface for electrostatic interactions |
CElement | |
CElementsTable | Periodic Table of the Elements Using element data is a place holder when we lack information about a specific atom type |
CEllipsoid | An ellipsoid in OpenMD is restricted to having two equal equatorial semi-axes |
CEnergyCorrFunc | |
CEqualConstraint | |
CEqualIgnoreCaseConstraint | |
CEquipartition | |
CEvenConstraint | |
CFCCLattice | |
CFCCOfR | |
CField | |
CFixedBondType | FixedBondType class is responsible for calculating the force and energy of the bond |
CFixedChargeAdapter | |
CFixedChargeAtypeParameters | |
CFluctuatingAtypeParameters | |
CFluctuatingChargeAdapter | |
CFluctuatingChargeAtomData | |
CFluctuatingChargeAtomTypesSectionParser | |
CFluctuatingChargeConstraints | |
CFluctuatingChargeDamped | |
CFluctuatingChargeForces | |
CFluctuatingChargeLangevin | |
CFluctuatingChargeNVE | |
CFluctuatingChargeNVT | |
CFluctuatingChargeObjectiveFunction | |
CFluctuatingChargeParameters | |
CFluctuatingChargePropagator | Abstract class for propagating fluctuating charge variables |
CForceAutoCorrFunc | |
CForceDecomposition | ForceDecomposition is an interface for passing out and collecting information from many processors at various stages of the main non-bonded ForceLoop |
CForceField | |
CForceFieldOptions | |
CForceManager | ForceManager is responsible for calculating both the short range (bonded) interactions and long range (non-bonded) interactions |
CForceMatrixDecomposition | |
CForceModifier | Abstract class for external ForceModifier classes |
CForTorCorrFunc | |
CFragmentStamp | |
CFrameData | FrameData is a structure for holding system-wide dynamic data about the simulation |
CFrameTimeCorrFunc | |
CFreqFlucCorrFunc | Frequency Fluctuation Correlation Function |
CFuncflParameters | |
CGaussianTriangleQuadratureRule | |
CGayBerneAdapter | |
CGayBerneAtomTypesSectionParser | |
CGB | |
CGBAtypeParameters | |
CGBheadVisitor | |
CGBInteractionData | |
CGBtailVisitor | |
CGCN | Generalized Coordinate Number |
CGCNSeq | Generalized Coordinate Number Sequence |
CGenericData | @ class GenericData GenericData.hpp "utils/GenericData.hpp" |
CGenericFactory | GenericFactory is a template based Object Factory Factory pattern is used to define an interface for creating an object |
CGhostBend | |
CGhostTorsion | |
CGlobals | |
CGofAngle2 | |
CGofR | |
CGofRAngle | |
CGofRAngle2 | |
CGofROmega | |
CGofRTheta | |
CGofRZ | |
CGofXyz | |
CGofZ | |
CGreaterThanConstraint | |
CGreaterThanOrEqualTo | |
CGrid3D | |
Cgzstreambase | |
Cgzstreambuf | |
CHarmonicBendType | |
CHarmonicBondType | HarmonicBondType is the basic OpenMD bond type |
CHarmonicInversionType | This inversion potential has the form: |
CHarmonicSineBendType | A bend using the square of the sine of the angle instead of the angle itself: |
CHarmonicTorsionType | These torsion types are defined identically with functional form given in equation 5 in the following paper: |
CHBondGeometric | Hydrogen Bonding statistics using geometric criteria |
CHBondJump | |
CHBondJumpR | |
CHBondJumpZ | |
CHBondPersistence | |
CHBondR | Hydrogen Bonding density binned by r |
CHBondRvol | Hydrogen Bonding density binned by r |
CHBondZ | Hydrogen Bonding density binned by z |
CHBondZvol | Hydrogen Bonding density binned by z |
CHull | |
CHullFinder | |
CHxy | |
CHydrodynamicsElement | |
CHydrodynamicsModel | |
CHydrodynamicsModelBuilder | |
CHydrodynamicsModelCreator | |
CHydrodynamicsModelFactory | Factory pattern and Singleton Pattern are used to define an interface for creating an HydrodynamicsModel |
CHydrogenBondingInteraction | The basic interface for hydrogen bonding interactions |
CHydroIO | |
CHydroProp | Container for information about the hydrodynamic behavior of objects interacting with surroundings |
CIcosahedralOfR | |
CIcosahedron | Create the Mackay icosahedron structure |
Cifstrstream | Ifstrstream class provides a stream interface to read data from files |
Cigzstream | |
CImproperCosineInversionParameter | |
CImproperCosineInversionType | "types/ImproperCosineInversionType.hpp" |
CIndexFinder | |
CIndexListContainer | |
CInoDecahedron | |
CIntegrator | Declaration of the Integrator base class, which all other integrators inherit from |
CIntegratorBuilder | |
CIntegratorCreator | |
CIntegratorFactory | Factory pattern and Singleton Pattern are used to define an interface for creating an Integrator |
CInteractionData | The InteractionData struct |
CInteractionManager | InteractionManager is responsible for keeping track of the non-bonded interactions (C++) |
CInteractionTimeCorrFunc | |
CInversePowerSeries | |
CInversePowerSeriesInteractionData | |
CInversePowerSeriesInteractionType | InversePowerSeriesInteractionType is a sum of powers in the inverse of r: |
CInversion | |
CInversionData | |
CInversionDataSet | |
CInversionStamp | |
CInversionType | |
CInversionTypeParser | "types/InversionTypeParser.hpp" |
CInversionTypesSectionParser | "io/InversionTypesSectionParser.hpp" |
CKirkwood | |
CKirkwoodBuff | |
CKirkwoodQuadrupoles | |
CLangevinDynamics | |
CLangevinHullDynamics | |
CLangevinHullForceModifier | Force modifier for NPT Langevin Hull Dynamics applying friction and random forces as well as torques |
CLangevinPiston | Constant pressure and temperature integrator |
CLattice | |
CLatticeBuilder | |
CLatticeCreator | |
CLatticeFactory | Factory pattern and Singleton Pattern are used to define an interface for creating an Lattice |
CLDForceModifier | Force modifier for Langevin Dynamics applying friction and random forces as well as torques |
CLegendreCorrFunc | |
CLegendreCorrFuncZ | |
CLegendreGauss1d | |
CLegendreGauss1dParams | |
CLegendrePolynomial | A collection of Legendre Polynomials |
CLennardJonesAdapter | |
CLennardJonesAtomTypesSectionParser | |
CLennardJonesInteractionType | LennardJonesInteractionType is one of the basic interaction types |
CLessThanConstraint | |
CLessThanOrEqualToConstraint | |
CLessThanPeriodicityFunctor | |
CLipidHeadVisitor | |
CLipidTransVisitor | |
CLJ | |
CLJAtypeParameters | |
CLJInteractionData | |
CLocalIndexManager | "utils/LocalIndexManager.hpp" |
CMagneticField | Applies a uniform (vector) magnetic field to the system |
CMassDensityR | |
CMassDensityZ | |
CMatrixAccumulator | |
CMAW | |
CMAWInteractionData | |
CMAWInteractionType | MAWInteractionType (Metal-Angular-Water) is one of the basic Metal-to-NonMetal interaction types |
CMeanDisplacement | |
CMesh | |
CMetallicInteraction | The basic interface for metallic interactions |
CMie | |
CMieInteractionData | |
CMieInteractionType | MieInteractionType is one of the basic interaction types |
CMinimizerParameters | |
CMolecularRestraint | MolecularRestraint is the restraint (both positional and orientational) for the configuration of a flexible Molecule relative to some reference structure for the same Molecule |
►CMolecule | |
CHBondDonor | |
CMoleculeACF | |
CMoleculeCCF | |
CMoleculeCount | |
CMoleculeCreator | |
CMoleculeStamp | |
CMoLocator | |
CMomAngMomCorrFunc | |
CMomentData | |
CMomentumCorrFunc | |
CMomentumHistogram | |
CMorse | |
CMorseBondType | MorseBondType is a more realistic bond potential |
CMorseInteractionData | |
CMorseInteractionType | MorseInteractionType is one of the basic non-bonded interactions |
CMPFrameTimeCorrFunc | |
CMPITraits | |
CMPITraits< RectMatrix< T, R, C > > | |
CMPITraits< SquareMatrix3< T > > | |
CMPITraits< Vector3< T > > | |
CMPITraits< Vector< T, Dim > > | |
CMSMSFormat | |
CMultiComponentRDF | Multi-Component Radial Distribution Function |
CMultipassCorrFunc | Computes a correlation function by scanning a trajectory once to precompute quantities to be correlated |
CMultipoleAdapter | |
CMultipoleAtomTypesSectionParser | |
CMultipoleAtypeParameters | |
CMultipoleSum | |
CNameFinder | |
CNanoLength | |
CNanoVolume | |
CNegativeConstraint | |
CNgammaT | Constant lateral surface tension integrator |
CNitrileFrequencyMap | |
CNodesStamp | |
CNonBondedInteraction | The basic interface for non-bonded interactions |
CNonBondedInteractionsSectionParser | |
CNonBondedInteractionType | NonBondedInteractionType class is responsible for keeping track of static (unchanging) parameters for explicit non-bonded interactions |
CNonBondedInteractionTypeProperties | |
CNonNegativeConstraint | |
CNonPositiveConstraint | |
CNonZeroConstraint | |
CNoStatus | No status |
CNotEmptyConstraint | |
CNotParamConstraint | |
CNPA | Constant normal pressure and lateral surface area integrator No thermostat! |
CNPAT | Constant normal pressure and lateral surface area integrator |
CNPrT | Constant normal pressure and lateral surface tension integrator |
CNPT | |
CNPTf | |
CNPTi | |
CNPTsz | A utility integrator (much like NPTxyz) but which keeps the relative scaling of x & y fixed |
CNPTxyz | |
CNumberR | |
CNumberZ | |
CNVE | |
CNVT | Basic thermostating via Hoover, Phys.Rev.A, 1985, Vol |
CObjectACF | |
CObjectCCF | |
CObjectCount | |
CObjectRestraint | ObjectRestraint is the basic harmonic restraint for the degrees of freedom of a StuntDouble |
Cogzstream | |
COnsagerCorrFunc | |
COpenMDBitSet | OpenMDBitSet is a wrapper class of std::vector<bool> to act as a growable std::bitset |
COpenMDException | |
COplsTorsionType | These torsion types are defined identically with functional form given in the following paper: |
COptimizationBuilder | |
COptimizationCreator | |
COptimizationFactory | Factory pattern and Singleton Pattern are used to define an interface for creating an Optimization |
COptionSectionParser | "io/OptionSectionParser.hpp" |
COrderParameterProbZ | |
COrParamConstraint | |
CP2OrderParameter | |
CP2R | |
CP2Z | |
CPairList | PairList class maintains a general purpose list of atom pairs using the global indices of the atoms |
CpAngle | |
CParamConstraintFacade | This class allows to recognize constraint predicates, so that they can be combined using composition operators |
CParticleTimeCorrFunc | |
CPipeDensity | |
CPlan | |
CPolarizableAdapter | |
CPolarizableAtomTypesSectionParser | |
CPolarizableAtypeParameters | |
CPolynomial | A generic Polynomial class |
CPolynomialBendType | "types/PolynomialBendType.hpp" |
CPolynomialBondType | "types/PolynomialBondType.hpp" |
CPolynomialInversionType | "types/PolynomialInversionType.hpp" |
CPolynomialTorsionType | "types/PolynomialTorsionType.hpp" |
CPositionZ | |
CPositiveConstraint | |
CPotDiff | Potential Energy differences with charges turned off |
CPotentialEnergyObjectiveFunction | |
CPotVecAccumulator | |
CPrepareVisitor | |
CProgressBar | |
CPropertyMap | PropertyMap class maintains a list of GenericData |
CQuarticBendType | |
CQuarticBondType | |
CQuarticTorsionType | |
CQuaternion | Quaternion is a sort of a higher-level complex number |
CRadialDistrFunc | Radial Distribution Function |
CRattle | Velocity Verlet Constraint Algorithm |
CRBCOMVisitor | |
CRCorrFunc | |
CRCorrFuncR | |
CRCorrFuncZ | |
CRealSphericalHarmonic | |
CRealSymmetricTridiagonal | Computes eigenvalues and eigenvectors of a real (non-complex) symmetric tridiagonal matrix by the QL method |
CRectMatrix | Rectangular matrix class |
CRegularCuboctahedron | |
CRegularDecahedron | |
CReplacementVisitor | Replaces an atomic object with a collection atomic sites |
CReplicateVisitor | |
CRepulsivePower | |
CRepulsivePowerInteractionType | RepulsivePowerInteractionType is one of the basic interaction types |
CRestraint | |
CRestraintForceModifier | |
CRestraintStamp | |
CRestReader | |
CRestWriter | |
CRevision | |
CRhoR | |
CRhoZ | |
CRigidBody | |
CRigidBodyStamp | |
CRippleOP | |
CRMSD | |
CRNEMDR | |
CRNEMDRTheta | |
CRNEMDZ | |
CRotAngleDisplacement | |
CRotationAlgorithm | Abstract class for rotation |
CRoughShell | |
CRPInteractionData | |
CSameSectionParserFunctor | |
CSC | |
CSCAtomData | |
CSCAtomTypesSectionParser | "io/SCAtomTypesSectionParser.hpp" |
CSCAtypeParameters | |
CSCDElem | |
CSCDOrderParameter | |
CSCInteractionData | |
CSCLattice | |
CSCN | Secondary Coordinate Number |
CSDKBend | |
CSDKBendType | |
CSDShape | |
CSectionParser | |
CSectionParserContext | |
CSectionParserManager | "io/SectionParserManager.hpp" SectionParserManager maintains a priority list |
CSelectionCompiler | "selection/SelectionCompiler.hpp" |
CSelectionCorrFunc | |
CSelectionEvaluator | "selection/SelectionEvaluator" |
CSelectionManager | |
CSelectionSet | |
CSelfData | The SelfData struct |
CSequentialAnalyzer | "applications/sequentialProps/SequentialAnalyzer" |
CShake | |
CShape | |
CShapeAtomType | |
CShapeAtomTypesSectionParser | |
CShapeBuilder | |
CshapedLattice | Returns a vector of vector3 position on a lattice truncated |
CshapedLatticeEllipsoid | Implements an ellipsoid-shaped lattice |
CshapedLatticePentRod | Implements a spherically-capped rod-shaped lattice |
CshapedLatticeRod | Implements a spherically-capped rod-shaped lattice |
CshapedLatticeSpherical | Implements a spherical lattice |
CSHAPES | |
CShellStatistics | |
CShiftedMieBondType | ShiftedMieBondType is used to correct 1-3 bend interactions in the SDK force field |
CShortRangeInteraction | A ShortRangeInteraction holds some bookeeping data for bonded interactions (e.g |
CSimCreator | The only responsibility of SimCreator is to parse the meta-data file and create a SimInfo instance based on the information returned by parser |
CSimInfo | One of the heavy-weight classes of OpenMD, SimInfo maintains objects and variables relating to the current simulation |
CSimplePreprocessor | |
CSimpleTypeData | SimpleTypeData class is a POD repository class |
CSimSnapshotManager | "brains/SimSnapshotManager.hpp" |
CSlabStatistics | |
CSnapshot | Repository storing dynamic data during a Simulation |
CSnapshotManager | SnapshotManager class is an abstract class which maintains a series of snapshots |
CSpatialStatistics | |
CSPFData | |
CSPFDynamics | |
CSphere | |
CSphericalHarmonic | |
CSquareMatrix | A square matrix class |
CSquareMatrix3 | |
CSSDAtomVisitor | |
►CStaticAnalyser | |
COutputData | |
►CStats | |
CStatsData | |
CStatusFunction | |
CStatWriter | A configurable Statistics Writer |
CSticky | |
CStickyAdapter | |
CStickyAtomTypesSectionParser | "io/StickyAtomTypesSectionParser.hpp" |
CStickyAtypeParameters | |
CStickyInteractionData | |
CStickyPowerAtomTypesSectionParser | StickyPowerAtomTypesSectionParser.hpp "io/StickyAtomTypesSectionParser.hpp" |
CStrangFixCowperTriangleQuadratureRule | |
CStressCorrFunc | |
CStringTokenizer | The string tokenizer class allows an application to break a string into tokens The set of delimiters (the characters that separate tokens) may be specified either at creation time or on a per-token basis |
CStuntDouble | "Don't move, or you're dead! Stand up! Captain, we've got them!" |
CSurfaceDiffusion | |
CSuttonChenAdapter | |
CSwitchingFunction | |
CSystemACF | |
CSystemCCF | |
CSystemDecomposition | SystemDecomposition is an interface for passing out and collecting information from many processors for use during integration and computation of physical properties |
CSystemDipoleCorrFunc | |
CTetrahedralityHBMatrix | Tetrahedrality Hydrogen Bonding Matrix |
CTetrahedralityParam | Tetrahedrality Parameter |
CTetrahedralityParamDens | Tetrahedrality ParameterDens |
CTetrahedralityParamR | Tetrahedrality ParameterR |
CTetrahedralityParamXYZ | Tetrahedrality Parameter XYZ |
CTetrahedralityParamZ | Tetrahedrality ParameterZ |
CThermo | |
CThermoIntegrationForceModifier | |
CThetaCorrFunc | |
CTimeCorrFunc | Computes a correlation function by scanning a trajectory once to precompute quantities to be correlated |
CToken | |
CTokenMap | |
CTorForCorrFunc | |
CTorqueAutoCorrFunc | |
CTorsion | |
CTorsionData | |
CTorsionDataSet | |
CTorsionStamp | |
CTorsionType | |
CTorsionTypeParser | "types/TorsionTypeParser.hpp" |
CTorsionTypesSectionParser | "io/TorsionTypesSectionParser.hpp" |
CTranslationalOrderParamZ | TranslationalOrder ParameterZ |
CTrappeTorsionType | "types/TrappeTorsionType.hpp" These torsion types are defined identically with functional form given in the following paper: |
CTreeNode | |
CTriangle | Triangle provides geometric data to OpenMD |
CTriangleQuadrature | A class for integrating a function using numerical quadrature over triangular domains |
CTriangleQuadratureRule | A "rule" (weights and quadrature points) for computing quadrature over triangular domains |
CTruncatedCube | |
CTwoDGofR | |
CTypeContainer | |
CUFFAdapter | |
CUFFAtomTypesSectionParser | |
CUFFAtypeParameters | |
CUniformField | Applies a uniform (vector) electric field to the system |
CUniformGradient | Applies a uniform electric field gradient to the system |
CUreyBradleyBend | |
CUreyBradleyBendType | |
CVanDerWaalsInteraction | The basic interface for van der Waals interactions |
CVCorrFunc | |
CVCorrFuncR | |
CVCorrFuncZ | |
CVector | Fix length vector class |
CVector2 | |
CVector3 | |
CVectorAccumulator | |
CVectorTypeData | |
CVelAngularVelOutProdCorrFunc | |
CVelocitizer | Velocity-modifying routines |
CVelocityAutoOutProductCorrFunc | |
CVelocityField | |
CVelocityVerletIntegrator | |
CVelocityZ | |
CWaterTypeVisitor | |
CWCorrFunc | |
CWrappingVisitor | |
CXYZAtom | |
CXYZFormat | |
CXYZVisitor | |
CZconsData | |
CZConsReader | |
CZConsStamp | |
CZConstraintForceModifier | |
CZconstraintMol | |
CZconstraintParam | |
CZConsVisitor | |
CZConsWriter | |
CZeroConstraint | |
CZhouParameters | |
►NQuantLib | |
CArmijoLineSearch | Armijo line search |
CBFGS | Broyden-Fletcher-Goldfarb-Shanno algorithm |
CBoundaryConstraint | Constraint imposing all arguments to be in [low,high] |
CCompositeConstraint | Constraint enforcing both given sub-constraints |
CConjugateGradient | Multi-dimensional Conjugate Gradient class |
►CConstraint | Base constraint class |
CImpl | Base class for constraint implementations |
CEndCriteria | Criteria to end optimization process: |
CLineSearch | Base class for line search |
CLineSearchBasedMethod | |
CNoConstraint | No constraint |
CObjectiveFunction | Objective function abstract class for optimization problem |
COptimizationMethod | Abstract class for constrained optimization method |
CParametersTransformation | |
CPositiveConstraint | Constraint imposing positivity to all arguments |
CProblem | Constrained optimization problem |
CSteepestDescent | Multi-dimensional steepest-descent class |
Ccmdline_parser_params | The additional parameters to pass to parser functions |
CerrorStruct | |
CFilenameObserver | |
Cgengetopt_args_info | Where the command line options are stored |
CGrid3d | A generic 3d grid class |
CMDLexer | |
CMDParser | |
CMDTreeParser | |
CParameter | |
CParameterBase | |
CParameterTraits | |
CParameterTraits< bool > | |
CParameterTraits< int > | |
CParameterTraits< RealType > | |
CParameterTraits< std::pair< int, int > > | |
CParameterTraits< std::string > | |
CParameterTraits< std::vector< RealType > > | |
CParameterTraits< unsigned long int > | |
CSimplePreprocessor | A simple preprocessor |
CSTLContainerTypeData | STL container type generic data which is associated with an id |
CWildcard |