MPQC 2.3.1

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Class List
Here are the classes, structs, unions and interfaces with brief descriptions:
[detail level 1 2 3]

MPQC |
CartesianIterCCA |
Chemistry_Molecule_impl | Symbol "MPQC.Chemistry_Molecule" (version 0.2)
Chemistry_MoleculeViewer_impl | Symbol "MPQC.Chemistry_MoleculeViewer" (version 0.2)
Chemistry_QC_Model_impl | Symbol "MPQC.Chemistry_QC_Model" (version 0.2)
Chemistry_QC_ModelFactory_impl | Symbol "MPQC.Chemistry_QC_ModelFactory" (version 0.2)
ChemistryOpt_CoordinateModel_impl | Symbol "MPQC.ChemistryOpt_CoordinateModel" (version 0.2)
ComponentClassDescription_impl | Symbol "MPQC.ComponentClassDescription" (version 0.2)
ComponentFactory_impl | Symbol "MPQC.ComponentFactory" (version 0.2)
GaussianBasis_Atomic_impl | Symbol "MPQC.GaussianBasis_Atomic" (version 0.2)
GaussianBasis_Molecular_impl | Symbol "MPQC.GaussianBasis_Molecular" (version 0.2)
GaussianBasis_Shell_impl | Symbol "MPQC.GaussianBasis_Shell" (version 0.2)
IntegralEvaluator2_impl | Symbol "MPQC.IntegralEvaluator2" (version 0.2)
IntegralEvaluator3_impl | Symbol "MPQC.IntegralEvaluator3" (version 0.2)
IntegralEvaluator4_impl | Symbol "MPQC.IntegralEvaluator4" (version 0.2)
IntegralEvaluatorFactory_impl | Symbol "MPQC.IntegralEvaluatorFactory" (version 0.2)
Physics_Units_impl | Symbol "MPQC.Physics_Units" (version 0.2)
SimpleDriver_impl | Symbol "MPQC.SimpleDriver" (version 0.2)
sc |
MPQCInDatum |
MPQCIn |
AtomInfo | Information about atoms
IntCoor |
    The IntCoor abstract class describes an internal coordinate of a
molecule
SumIntCoor |
    SumIntCoor is used to construct linear combinations of internal
coordinates
SetIntCoor | Describes a set of internal coordinates
IntCoorGen | IntCoorGen generates a set of simple internal coordinates for a molecule
MolecularCoor |
    The MolecularCoor abstract class describes the coordinate system used
to describe a molecule
IntMolecularCoor |
    The IntMolecularCoor abstract class describes a molecule's coordinates
in terms of internal coordinates
SymmMolecularCoor | Derives from IntMolecularCoor
RedundMolecularCoor |
    The RedundMolecularCoor class provides a redundant set of simple
internal coordinates
CartMolecularCoor | Implements Cartesian coordinates in a way suitable for use in geometry optimizations
MolecularEnergy | The MolecularEnergy abstract class inherits from the Function class
SumMolecularEnergy |
MolEnergyConvergence |
FinDispMolecularHessian | Computes the molecular hessian by finite displacements of gradients
MolecularFormula | Used to calculate the molecular formula of a Molecule
MolecularHessian | MolecularHessian is an abstract class that computes a molecule's second derivatives of the energy with respect to changes in the nuclear coordinates
ReadMolecularHessian | ReadMolecularHessian is an implementation of MolecularHessian that reads the hessian from a file
GuessMolecularHessian | GuessMolecularHessian is an implementation of MolecularHessian that estimates the hessian based on the internal coordinates
DiagMolecularHessian | DiagMolecularHessian is an implementation of MolecularHessian that returns a hessian that is a diagonal matrix
Molecule | Information about molecules
MolecularFrequencies |
    The MolecularFrequencies class is used to compute the molecular
frequencies and thermodynamic information
MolFreqAnimate |
RenderedMolecule |
RenderedStickMolecule |
RenderedBallMolecule |
MoleculeColorizer |
AtomProximityColorizer |
RenderedMolecularSurface |
VDWShape | Describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom
DiscreteConnollyShape | DiscreteConnollyShape and ConnollyShape should produce the same result
CS2Sphere |
ConnollyShape | DiscreteConnollyShape and ConnollyShape should produce the same result
SimpleCo | The SimpleCo abstract class describes a simple internal coordinate of a molecule
StreSimpleCo | Describes an stretch internal coordinate of a molecule
BendSimpleCo |
    The BendSimpleCo class describes an bend internal coordinate of a
molecule
TorsSimpleCo | Describes an torsion internal coordinate of a molecule
ScaledTorsSimpleCo | Describes an scaled torsion internal coordinate of a molecule
OutSimpleCo |
LinIPSimpleCo |
    The LinIPSimpleCo class describes an in-plane component of a linear
bend internal coordinate of a molecule
LinOPSimpleCo |
    The LinOPSimpleCo class describes an out-of-plane component of a linear
bend internal coordinate of a molecule
TaylorMolecularEnergy |
CartesianIter | CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization
RedundantCartesianIter | RedundantCartesianIter objects loop through all possible combinations of a given number of axes
RedundantCartesianSubIter | Like RedundantCartesianIter, except a, b, and c are fixed to a given value
DerivCenters | DerivCenters keeps track the centers that derivatives are taken with respect to
DistShellPair | Distributes shell pairs either statically or dynamically
SharedData | This is used to store data that must be shared between all cooperating shell pairs
ExtentData |
ShellExtent |
BasisFileSet |
GaussianBasisSet |
    The GaussianBasisSet class is used describe a basis set composed of
atomic gaussian orbitals
ValueData | This holds scratch data needed to compute basis function values
GaussianShell | A Gaussian orbital shell
canonical_aaaa | If the shell loop structure has 8 fold symmetry, then this should be used as the template argument to GPetite4
canonical_aabc | If the shell loop structure has 2 fold symmetry between the first two indices, then this should be used as the template argument to GPetite4
canonical_aabb | If the shell loop structure has 2 fold symmetry between the first two indices and a 2 fold symmetry between the last two indices, then this should be used as the template argument to GPetite4
canonical_abcd | If the shell loop structure has no symmetry, then this should be used as the template argument to GPetite4
GenPetite4 | This class is an abstract base to a generalized four index petite list
GPetite4 | This class provides a generalized four index petite list
Integral |
    The Integral abstract class acts as a factory to provide objects that
compute one and two electron integrals
EfieldDotVectorData |
DipoleData |
PointChargeData |
OneBodyInt | OneBodyInt is an abstract base class for objects that compute integrals between two basis functions
OneBodyOneCenterInt | OneBodyOneCenterInt is an abstract base class for objects that compute integrals between two basis functions
OneBodyOneCenterWrapper |
ShellPairIter |
OneBodyIntIter |
OneBodyIntOp |
OneBody3IntOp |
OneBodyDerivInt | OneBodyDerivInt is an abstract base class for objects that compute one body derivative integrals
OneBodyOneCenterDerivInt | OneBodyOneCenterDerivInt is an abstract base class for objects that compute one body derivative integrals on a single center
OverlapOrthog | This class computes the orthogonalizing transform for a basis set
contribution |
SO |
SO_block |
PetiteList |
ShellRotation | Compute the transformation matrices that maps a set of Cartesian functions to another set of Cartesian functions in a rotated coordinate system
SOTransformFunction | SOTransformShell describes how an AO function contributes to an SO function in a particular SO shell
SOTransformShell | SOTransformShell maintains a list of AO functions contribute to an SO function in a particular SO shell
SOTransform | SOTransform maintains a list of AO shells that are be used to compute the SO
SOBasis | A SOBasis object describes the transformation from an atomic orbital basis to a symmetry orbital basis
OneBodySOInt |
TwoBodySOInt |
SymmOneBodyIntIter |
SymmTwoBodyIntIter |
TwoBodyInt | This is an abstract base type for classes that compute integrals involving two electrons
TwoBodyThreeCenterInt | This is an abstract base type for classes that compute integrals involving two electrons in three Gaussian functions
TwoBodyTwoCenterInt | This is an abstract base type for classes that compute integrals involving two electrons in two Gaussian functions
ShellQuartetIter |
TwoBodyIntIter |
TwoBodyDerivInt | This is an abstract base type for classes that compute integrals involving two electrons
TwoBodyThreeCenterDerivInt | This is an abstract base type for classes that compute three centers integrals involving two electrons
TwoBodyTwoCenterDerivInt | This is an abstract base type for classes that compute two centers integrals involving two electrons
SphericalTransformComponent | This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation
SphericalTransform | This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation
ISphericalTransform | This describes a solid harmonic to Cartesian transform
SphericalTransformIter | This iterates through the components of a SphericalTransform
CartesianIterCints |
RedundantCartesianIterCints |
RedundantCartesianSubIterCints |
IntegralCints | IntegralCints computes integrals between Gaussian basis functions
EriCints | EriCints is a specialization of Int2eCints that computes electron repulsion integrals
LibintStaticInterface |
GRTCints | GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods
Libr12StaticInterface |
Int1eCints | Int1eCints is used by OneBodyIntCints and OneBodyDerivIntCints to implement IntegralCints
Int2eCints | Int2eCints is an interface to various specializations of two-electron integral evaluators implemented in Cints
OneBodyIntCints | This implements most one body integrals in the Cints library
prim_pair_t |
PrimPairsCints | PrimPairsCints contains primitive pair data
ShellPairCints | ShellPairCints provides all primitive pair data for a given shell pair
ShellPairsCints | ShellPairsCints contains primitive pair data for all shell pairs
TwoBodyIntCints | This implements electron repulsion integrals in the IntCints library
TwoBodyDerivIntCints | This implements electron repulsion derivative integrals in the IntV3 library
SphericalTransformComponentCints |
SphericalTransformCints |
ISphericalTransformCints |
CLKS | This provides a Kohn-Sham implementation for closed-shell systems
LocalCLKSContribution |
LocalCLKSEnergyContribution |
PointInputData | Contains data needed at each point by a DenFunctional
SpinData |
PointOutputData | Contains data generated at each point by a DenFunctional
DenFunctional | An abstract base class for density functionals
NElFunctional | The NElFunctional computes the number of electrons
SumDenFunctional | The SumDenFunctional computes energies and densities using the a sum of energy density functions method
StdDenFunctional | Used to construct the standard density functionals
LSDACFunctional | An abstract base class for local correlation functionals
PBECFunctional | Implements the Perdew-Burke-Ernzerhof (PBE) correlation functional
PW91CFunctional | The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional
P86CFunctional | Implements the Perdew 1986 (P86) correlation functional
NewP86CFunctional |
SlaterXFunctional | Implements the Slater exchange functional
VWNLCFunctional | An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived
VWN1LCFunctional | The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair)
VWN2LCFunctional | The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair)
VWN3LCFunctional | The VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair)
VWN4LCFunctional | The VWN4LCFunctional computes energies and densities using the VWN4 local correlation term (from Vosko, Wilk, and Nusair)
VWN5LCFunctional | The VWN5LCFunctional computes energies and densities using the VWN5 local correlation term (from Vosko, Wilk, and Nusair)
PW92LCFunctional | Implements the PW92 local (LSDA) correlation term
PZ81LCFunctional | Implements the PZ81 local (LSDA) correlation functional
XalphaFunctional | Implements the Xalpha exchange functional
Becke88XFunctional | Implements Becke's 1988 exchange functional
LYPCFunctional | Implements the Lee, Yang, and Parr functional
PW86XFunctional | Implements the Perdew-Wang 1986 (PW86) Exchange functional
PBEXFunctional | Implements the Perdew-Burke-Ernzerhof (PBE) exchange functional
PW91XFunctional | The Perdew-Wang 1991 exchange functional computes energies and densities using the designated local correlation functional
mPW91XFunctional | Implements a modified 1991 Perdew-Wang exchange functional
G96XFunctional | Implements the Gill 1996 (G96) exchange functional
HSOSKS | This provides a Kohn-Sham implementation for restricted-orbital high-spin open-shell systems
LocalHSOSKSContribution |
LocalHSOSKSEnergyContribution |
DenIntegrator | An abstract base class for integrating the electron density
IntegrationWeight | An abstract base class for computing grid weights
BeckeIntegrationWeight | Implements Becke's integration weight scheme
RadialIntegrator | An abstract base class for radial integrators
AngularIntegrator | An abstract base class for angular integrators
EulerMaclaurinRadialIntegrator | An implementation of a radial integrator using the Euler-Maclaurin weights and grid points
LebedevLaikovIntegrator | An implementation of a Lebedev angular integrator
GaussLegendreAngularIntegrator | An implementation of an angular integrator using the Gauss-Legendre weights and grid points
RadialAngularIntegrator | An implementation of an integrator using any combination of a RadialIntegrator and an AngularIntegrator
UKS | This provides a Kohn-Sham implementation for unrestricted-orbital open-shell systems
LocalUKSContribution |
LocalUKSEnergyContribution |
CartesianIterCCA |
RedundantCartesianIterCCA |
RedundantCartesianSubIterCCA |
Int1eCCA | Int1eCCA adapts CCA integrals components for use within SC
Int2eCCA | Int2eCCA adapts CCA integrals components for use within SC
IntegralCCA | IntegralCCA provides an SC client for CCA IntegralEvaluator components
OneBodyIntCCA | This implements one body integrals through the CCA interface
OneBodyDerivIntCCA | This implements one body derivative integrals
TwoBodyIntCCA | This implements two body integrals through the CCA interface
TwoBodyDerivIntCCA | This implements two body derivative integrals through the CCA interface
SphericalTransformComponentCCA |
SphericalTransformCCA |
ISphericalTransformCCA |
IntV3Arraydouble2 |
IntV3Arraydouble3 |
IntV3Arraydoublep2 |
IntV3Arraydoublep3 |
IntV3Arraydoublep4 |
IntV3Arrayint3 |
IntV3Arrayint4 |
CartesianIterV3 |
RedundantCartesianIterV3 |
RedundantCartesianSubIterV3 |
FJT |
Int1eV3 | Int1eV3 is a class wrapper for the one body part of the C language IntV3 library
Int2eV3 | Int2eV3 is a class wrapper for the two body part of the C language IntV3 library
store_list |
IntegralV3 | IntegralV3 computes integrals between Gaussian basis functions
OneBodyIntV3 | This implements most one body integrals in the IntV3 library
PointChargeIntV3 |
EfieldDotVectorIntV3 |
DipoleIntV3 |
OneBodyDerivIntV3 | This implements one body derivative integrals in the IntV3 library
IntegralKey |
IntegralLink |
IntegralStorer |
TwoBodyIntV3 | This implements electron repulsion integrals in the IntV3 library
TwoBodyThreeCenterIntV3 | This implements electron repulsion integrals involving three centers in the IntV3 library
TwoBodyTwoCenterIntV3 | This implements electron repulsion integrals involving two centers in the IntV3 library
TwoBodyDerivIntV3 | This implements electron repulsion derivative integrals in the IntV3 library
SphericalTransformComponentV3 |
SphericalTransformV3 |
ISphericalTransformV3 |
der_centersv3_t |
CSGrad34Qbtr |
CSGradErep12Qtr |
CSGradS2PDM |
HSOSV1Erep1Qtr |
MBPT2 |
    The MBPT2 class implements several second-order perturbation theory
methods
MP2BasisExtrap |
BiggestContribs |
MBPT2_R12 |
    The MBPT2_R12 class implements several linear R12 second-order perturbation theory
methods
MOIndexSpace | Class MOIndexSpace describes a range of molecular orbitals or similar objects that are linear combinations of basis functions (e.g
MP2R12Energy | Class MP2R12Energy is the object that computes and maintains MP2-R12 energies
MOPairIter | MOPairIter gives the ordering of orbital pairs
SpatialMOPairIter | SpatialMOPairIter gives the ordering of pairs of spatial orbitals
SpatialMOPairIter_eq | SpatialMOPairIter_eq gives the ordering of same-spin and different-spin orbital pairs if both orbitals of the pairs are from the same space
SpatialMOPairIter_neq | SpatialMOPairIter_neq gives the ordering of pairs of spatial orbitals from different spaces
MOPairIterFactory | This class produces MOPairIter objects
R12Amplitudes | R12Amplitudes gives the amplitudes of some linear-R12-ansatz-related terms in wave function
R12IntsAcc | R12IntsAcc accumulates transformed (MO) integrals stored as (ijxy) where i, j, x, and, y lie in spaces I, J, X, and Y, respectively
R12IntsAcc_MemoryGrp |
R12IntsAcc_MPIIOFile |
PairBlkInfo |
R12IntsAcc_MPIIOFile_Ind |
R12IntsAcc_Node0File |
R12IntEval | R12IntEval is the top-level class which computes intermediates occuring in linear R12 theories
TwoBodyMOIntsTransform_123Inds |
TwoBodyMOIntsTransform_12Inds |
TwoBodyMOIntsTransform_13Inds |
MOIntsTransformFactory | MOIntsTransformFactory is a factory that produces MOIntsTransform objects
TwoBodyMOIntsTransform_ijxy | TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel integrals-direct AO->MO transformation
TwoBodyMOIntsTransform_ikjy | TwoBodyMOIntsTransform_ikjy computes (ik|jy) integrals using parallel integrals-direct AO->MO transformation
TwoBodyMOIntsTransform_ixjy | TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation
TwoBodyMOIntsTransform | TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct AO->MO transformation
MOSpaces | Predefined enumerated type for the MO spaces
TwoBodyGrid | Class TwoBodyGrid describes a set of coordinates of 2 particles
R12IntEvalInfo | Class R12IntEvalInfo contains information necessary for R12 intermediate evaluators
BuildIntV3 |
PsiExEnv | PsiExEnv specifies a Psi calculation
PsiFile11 | PsiFile11 is a Psi gradient file
PsiInput | PsiInput is a Psi input file
PsiWavefunction | PsiWavefunction is an abstract base for all Psi wave functions
PsiSCF | PsiSCF is an abstract base for all Psi SCF wave functions
PsiCLHF | PsiCLHF is a concrete implementation of Psi RHF wave function
PsiHSOSHF | PsiHSOSHF is a concrete implementation of Psi ROHF wave function
PsiUHF | PsiUHF is a concrete implementation of Psi UHF wave function
PsiCCSD | PsiCCSD is a concrete implementation of Psi CCSD wave function
PsiCCSD_T | PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function
CLHF | CLHF is a Hartree-Fock specialization of CLSCF
LocalCLHFContribution |
LocalCLHFEnergyContribution |
LocalCLHFGradContribution |
CLSCF |
    The CLSCF class is a base for classes implementing a self-consistent
procedure for closed-shell molecules
AccumEffectiveH |
GSGeneralEffH |
GSHighSpinEffH |
TestEffH |
PsiEffH |
GBuild |
HSOSHF | HSOSHF is a Hartree-Fock specialization of HSOSSCF
HSOSSCF |
    The HSOSSCF class is a base for classes implementing a self-consistent
procedure for high-spin open-shell molecules
LocalLBGBuild |
LocalGBuild |
LocalTBGrad |
OSSHF |
LocalOSSContribution |
LocalOSSEnergyContribution |
LocalOSSGradContribution |
OSSSCF |
SCF |
    The SCF class is the base for all classes that use a self-consistent
field procedure to solve an effective one body problem
SCFEnergy |
LevelShift |
ALevelShift |
BLevelShift |
MOLagrangian |
TBGrad |
TCHF |
LocalTCContribution |
LocalTCEnergyContribution |
LocalTCGradContribution |
TCSCF |
UHF | This provides an unrestricted Hartree-Fock implementation
LocalUHFContribution |
LocalUHFEnergyContribution |
LocalUHFGradContribution |
UnrestrictedSCF | A base class for unrestricted self-consistent-field methods
AccumH |
AccumHNull |
SumAccumH |
ElectronDensity | This is a Volume that computer the electron density
BatchElectronDensity | This a more highly optimized than ElectronDensity since everything is precomputed
DensityColorizer |
GradDensityColorizer |
ExtendedHuckelWfn |
OneBodyWavefunction | A OneBodyWavefunction is a MolecularEnergy that solves an effective one-body problem
HCoreWfn |
Orbital |
BEMSolventH |
Wavefunction | A Wavefunction is a MolecularEnergy that utilizies a GaussianBasisSet
BEMSolvent |
Edge |
IsosurfaceGen |
ImplicitSurfacePolygonizer |
Shape | A Shape is a Volume represents an 3D solid
SphereShape |
UncappedTorusHoleShape |
NonreentrantUncappedTorusHoleShape |
ReentrantUncappedTorusHoleShape |
Uncapped5SphereExclusionShape |
UnionShape | A UnionShape is volume enclosed by a set of Shape's
TriangulatedSurface |
TriangulatedSurfaceIntegrator |
TriangulatedImplicitSurface |
Triangle |
TriangleIntegrator |
GaussTriangleIntegrator |
TriInterpCoefKey |
TriInterpCoef |
Vertex |
Volume | A Volume is a Function of three variables
Convergence |
    The Convergence class is used by the optimizer to determine when an
optimization is converged
DIIS | DIIS extrapolation
EFCOpt | Implements eigenvector following as described by Baker in J
Function | Abstract base class that, given a set of coordinates, will compute a value and possibly a gradient and hessian at that point
GDIISOpt |
MCSearch | This performs line searches with cubic steps
NewtonOpt |
Optimize | Abstract base class for classes that find the extreme points of Function's
LineOpt |
    The LineOpt abstract class is used to perform one dimensional
optimizations
Backtrack |
QNewtonOpt | The QNewtonOpt implements a quasi-Newton optimization scheme
SCExtrapData | SCExtrapData hold the data to be extrapolated needed by SelfConsistentExtrapolation
SCExtrapError | SCExtrapError holds the error data needed by SelfConsistentExtrapolation
SelfConsistentExtrapolation |
    The SelfConsistentExtrapolation abstract class is used to iteratively
solve equations requiring a self consistent solution, such as,
SymmSCMatrixSCExtrapData |
SymmSCMatrix2SCExtrapData |
SymmSCMatrix4SCExtrapData |
SymmSCMatrixNSCExtrapData |
SymmSCMatrixSCExtrapError |
SteepestDescentOpt |
NonlinearTransform | Transforms between two nonlinear coordinate systems
IdentityTransform | The IdentityTransform is a special case of NonlinearTransform were no transformation takes place
HessianUpdate |
    The HessianUpdate abstract class is used to specify a hessian update
scheme
DFPUpdate |
    The DFPUpdate class is used to specify a Davidson, Fletcher, and Powell
hessian update scheme
BFGSUpdate |
    The DFPUpdate class is used to specify a Broyden, Fletcher, Goldfarb,
and Shanno hessian update scheme
PowellUpdate | Used to specify a Powell hessian update
SCMatrixKit |
    The SCMatrixKit abstract class acts as a factory for producing
matrices
SCVector | Abstract base class for double valued vectors
SCMatrix | Abstract base class for general double valued n by m matrices
SymmSCMatrix | Abstract base class for symmetric double valued matrices
DiagSCMatrix | The SymmSCMatrix class is the abstract base class for diagonal double valued matrices
SCMatrixBlockIter | Used to described iterates that loop through the elements in a block
SCMatrixRectBlockIter |
SCMatrixRectSubBlockIter |
SCMatrixLTriBlockIter |
SCMatrixLTriSubBlockIter |
SCMatrixDiagBlockIter |
SCMatrixDiagSubBlockIter |
SCVectorSimpleBlockIter |
SCVectorSimpleSubBlockIter |
SCMatrixBlock | SCMatrixBlock is the base clase for all types of blocks that comprise matrices and vectors
SCMatrixBlockListLink |
SCMatrixBlockListIter |
SCMatrixBlockList |
SCVectorSimpleBlock |
    The SCVectorSimpleBlock describes a piece of a
vector
SCVectorSimpleSubBlock |
    The SCVectorSimpleSubBlock describes a subblock of a
vector
SCMatrixRectBlock |
    The SCMatrixRectBlock describes a rectangular piece of a
matrix
SCMatrixRectSubBlock |
    The SCMatrixRectSubBlock describes a rectangular piece of a
matrix
SCMatrixLTriBlock |
    The SCMatrixLTriBlock describes a triangular piece of a
matrix
SCMatrixLTriSubBlock |
    The SCMatrixLTriSubBlock describes a triangular subblock of a
matrix
SCMatrixDiagBlock |
    The SCMatrixDiagBlock describes a diagonal piece of a
matrix
SCMatrixDiagSubBlock |
    The SCMatrixDiagSubBlock describes a diagonal subblock of a
matrix
SCMatrixSubblockIter | Objects of class SCMatrixSubblockIter are used to iterate through the blocks of a matrix
SCMatrixSimpleSubblockIter |
SCMatrixListSubblockIter |
SCMatrixNullSubblockIter |
SCMatrixCompositeSubblockIter |
SCMatrixJointSubblockIter |
BlockedSCMatrixKit |
BlockedSCVector |
BlockedSCMatrix |
BlockedSymmSCMatrix |
BlockedDiagSCMatrix |
BlockedSCElementOp |
BlockedSCElementOp2 |
BlockedSCElementOp3 |
SCBlockInfo | SCBlockInfo contains blocking information for the SCDimension class
SCDimension | Used to determine the size and blocking of matrices
RefSCDimension | Smart pointer to an SCDimension specialization
DistSCMatrixKit |
    The DistSCMatrixKit produces matrices that work in a many processor
environment
DistSCVector |
DistSCMatrix |
DistSymmSCMatrix |
DistDiagSCMatrix |
DistSCMatrixListSubblockIter |
SCElementOp | Objects of class SCElementOp are used to perform operations on the elements of matrices
SCElementOp2 | Very similar to the SCElementOp class except that pairs of blocks are treated simultaneously
SCElementOp3 | Very similar to the SCElementOp class except that a triplet of blocks is treated simultaneously
SCElementScalarProduct |
SCDestructiveElementProduct |
SCElementScale |
SCElementRandomize |
SCElementAssign |
SCElementSquareRoot |
SCElementInvert |
SCElementScaleDiagonal |
SCElementShiftDiagonal |
SCElementMaxAbs |
SCElementMinAbs |
SCElementSumAbs |
SCElementKNorm | Computed k-norm of matrix
SCElementDot |
SCElementAccumulateSCMatrix |
SCElementAccumulateSymmSCMatrix |
SCElementAccumulateDiagSCMatrix |
SCElementAccumulateSCVector |
LocalSCMatrixKit |
    The LocalSCMatrixKit produces matrices that work in a single processor
environment
LocalSCVector |
LocalSCMatrix |
LocalSymmSCMatrix |
LocalDiagSCMatrix |
RefSCVector | Smart pointer to an SCVector specialization
RefSCMatrix | Smart pointer to an SCMatrix specialization
RefSymmSCMatrix | Smart pointer to an SCSymmSCMatrix specialization
RefDiagSCMatrix | Smart pointer to an DiagSCMatrix specialization
SCVectordouble |
SCMatrixdouble |
SymmSCMatrixdouble |
DiagSCMatrixdouble |
SCMatrix3 |
ReplSCMatrixKit |
    The ReplSCMatrixKit produces matrices that work in a many processor
environment
ReplSCMatrixListSubblockIter |
ReplSCVector |
ReplSCMatrix |
ReplSymmSCMatrix |
ReplDiagSCMatrix |
SCVector3 |
CorrelationTable | Correlation table between two point groups
SymmetryOperation | 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection
SymRep | N dimensional matrix representation of a symmetry operation, such as a rotation or reflection
IrreducibleRepresentation | Information associated with a particular irreducible representation of a point group
CharacterTable | Workable character table for all of the non-cubic point groups
PointGroup | Really a place holder for a CharacterTable
DescribedMemberDatum |
ParentClass | Gives one parent class of a class
ParentClasses | Gives a list of parent classes of a class
type_info_key |
ClassDesc | This class is used to contain information about classes
DescribedClass | Classes which need runtime information about themselves and their relationship to other classes can virtually inherit from DescribedClass
ForceLinkBase | This, together with ForceLink, is used to force code for particular classes to be linked into executables
ForceLink |
    This, together with ForceLinkBase, is used to force code for particular
classes to be linked into executables
DescribedClassProxy |
SCException | This is a std::exception specialization that records information about where an exception took place
ProgrammingError | This is thrown when a situations arises that should be impossible
FeatureNotImplemented | This is thrown when an attempt is made to use a feature that is not yet implemented
InputError | This is thrown when invalid input is provided
SystemException | This is thrown when a system problem occurs
MemAllocFailed | This is thrown when a memory allocation fails
FileOperationFailed | This is thrown when an operation on a file fails
SyscallFailed | This is thrown when an system call fails with an errno
AlgorithmException | This exception is thrown whenever a problem with an algorithm is encountered
MaxIterExceeded | This is thrown when an iterative algorithm attempts to use more iterations than allowed
ToleranceExceeded | This is thrown when when some tolerance is exceeded
LimitExceeded | This is thrown when a limit is exceeded
AVLMapNode |
AVLMap |
iterator |
AVLSet |
iterator |
BitArrayLTri |
EAVLMMapNode |
EAVLMMap |
iterator |
FileGrp |
    The FileGrp abstract class provides a way of accessing distributed
file in a parallel machine
ProcFileGrp |
    The ProcFileGrp concrete class provides an implementation of
FileGrp for a single processor
GlobalCounter |
HypercubeGMI |
HypercubeTopology |
MemoryDataRequest |
MemoryDataRequestQueue |
ActiveMsgMemoryGrp |
    The ActiveMsgMemoryGrp abstract class specializes the MsgMemoryGrp
class
ARMCIMemoryGrp | The ARMCIMemoryGrp concrete class provides an implementation of MsgMemoryGrp
MemoryIter |
MsgMemoryGrp | A MsgMemoryGrp that initializes its data using a messagegrp
MTMPIMemoryGrp | This MemoryGrp class requires a MT-safe MPI implementation
distsize_t |
MemoryGrp |
    The MemoryGrp abstract class provides a way of accessing distributed
memory in a parallel machine
MemoryGrpBuf | The MemoryGrpBuf class provides access to pieces of the global shared memory that have been obtained with MemoryGrp
ProcMemoryGrp |
    The ProcMemoryGrp concrete class provides an implementation of
MemoryGrp for a single processor
RDMAMemoryGrp |
    The RDMAMemoryGrp abstract class specializes the MsgMemoryGrp
class
ShmMemoryGrp |
    The ShmMemoryGrp concrete class provides an implementation of
MsgMemoryGrp
GrpReduce |
GrpSumReduce |
GrpMinReduce |
GrpMaxReduce |
GrpArithmeticAndReduce |
GrpArithmeticOrReduce |
GrpArithmeticXOrReduce |
GrpProductReduce |
GrpFunctionReduce |
MessageGrp | The MessageGrp abstract class provides a mechanism for moving data and objects between nodes in a parallel machine
message_struct |
ProcMessageGrp | ProcMessageGrp provides a concrete specialization of MessageGrp that supports only one node
intMessageGrp | Uses integer message types to send and receive messages
MPIMessageGrp |
    The MPIMessageGrp class is an concrete implementation of MessageGrp
that uses the MPI 1 library
commbuf_struct |
msgbuf_struct |
ShmMessageGrp |
    The ShmMessageGrp class is an implementation of MessageGrp that
allows multiple process to be started that communicate with shared memory
MsgStateSend | The MsgStateSend is an abstract base class that sends objects to nodes in a MessageGrp
MsgStateBufRecv | The MsgStateBufRecv is an abstract base class that buffers objects sent through a MessageGrp
MsgStateRecv | The MsgStateRecv is an abstract base class that receives objects from nodes in a MessageGrp
StateSend | StateSend is a concrete specialization of MsgStateSend that does the send part of point to point communication in a MessageGrp
StateRecv | StateRecv is a concrete specialization of MsgStateRecv that does the receive part of point to point communication in a MessageGrp
BcastStateSend | BcastStateSend does the send part of a broadcast of an object to all nodes
BcastStateRecv | BcastStateRecv does the receive part of a broadcast of an object to all nodes
BcastState | This creates and forwards/retrieves data from either a BcastStateRecv or a BcastStateSend depending on the value of the argument to constructor
BcastStateInBin | BcastStateBin reads a file in written by StateInBin on node 0 and broadcasts it to all nodes so state can be simultaneously restored on all nodes
FreeData |
UsedData |
PoolData |
Pool |
ParallelRegionTimer |
RangeLockItem |
RangeLock |
PthreadThreadGrp | Privides a concrete thread group appropriate for an environment where pthreads is available
PumaThreadGrp | Privides a concrete thread group appropriate for the intel teraflops machine
ThreadLock | The ThreadLock abstract class provides mutex locks to be used in conjunction with ThreadGrp's
ThreadLockHolder | Acquire a lock on creation and release it on destruction
Thread | The Thread abstract class defines an interface which must be implemented by classes wishing to be run as threads
ThreadGrp | The ThreadGrp abstract class provides a means to manage separate threads of control
ProcThreadGrp | Privides a concrete thread group appropriate for an environment where there is only one thread
GlobalMsgIter |
MachineTopology |
intlist_struct |
ip_keyword_tree_struct |
ip_keyword_tree_list_struct |
ip_cwk_stack_struct |
IPV2 |
ip_string_list_struct |
KeyVal | Designed to simplify the process of allowing a user to specify keyword/value associations to a C++ program
AssignedKeyVal | This class allows keyval associations to be set up by the program, rather than determined by an external file
StringKeyVal | StringKeyVal is a base class for KeyVal implementations that store all values in a string format
AggregateKeyVal | This takes several KeyVal objects and makes them look like one KeyVal object
PrefixKeyVal | PrefixKeyVal is a KeyVal that searches a different KeyVal using modified keys
ParsedKeyVal | Converts textual information into keyword/value assocations
KeyValValue |
KeyValValuedouble |
KeyValValueboolean |
KeyValValuefloat |
KeyValValuechar |
KeyValValueint |
KeyValValuesize |
KeyValValuepchar |
KeyValValuestring |
KeyValValueRefDescribedClass |
KeyValValueString |
auto_vec | The auto_vec class functions much like auto_ptr, except it contains references to arrays
Debugger |
    The Debugger class describes what should be done when a catastrophic
error causes unexpected program termination
CCAEnv | Handles embedded CCA frameworks
Result | Result are members of Compute specializations that keep track of whether or not a particular result should be computed or if it has already been computed
NCResult | This is similar to Result, but can be used with non-class types
AccResult | This associates a result datum with an accuracy
SSAccResult | This associates a result datum with an accuracy
NCAccResult | This associates a result non-class datum with an accuracy
Compute | Means of keeping results up to date
ResultInfo | This is a base class for all of Compute's result types
AccResultInfo | This is like ResultInfo but the accuracy with which a result was computed as well as the desired accuracy are stored
ExEnv | Used to find out about how the program is being run
SCFormIO | This utility class is used to print only on node 0 and to provide attractive indentation of output
scprintf | This class allows `printf` like output to put sent to an `ostream`
TimedRegion |
RegionTimer |
    The RegionTimer class is used to record the time spent in a section of
code
Timer |
    The Timer class uses RegionTimer to time intervals in an exception safe
manner
Units | Used to perform unit converions
GetLongOpt |
Identifier | Identifier's are used to distinguish and order objects
Identity | Identity gives objects a unique identity and ordering relationship relative to all other objects
RefCount | The base class for all reference counted objects
RefBase | Provides a few utility routines common to all Ref template instantiations
Ref | A template class that maintains references counts
X |
Y |
vec2 |
vec3 |
vec4 |
mat3 |
mat4 |
AnimatedObject |
Appearance |
Color |
Material |
RenderedObject |
RenderedObjectSet |
OOGLRender |
Parameter |
RenderedPolygons |
RenderedPolylines |
Render |
FileRender |
RenderedSphere |
Stack |
Transform |
SavableStateProxy | Create a proxy for a SavableState object
SavableState | Base class for objects that can save/restore state
StateOutBin | Save state to a binary file
StateInBin | Read objects written with StateOutBin
StateOutFile | Writes state information to files
StateInFile | Reads state information from a file
StateOutText | Writes out state information in an almost human readable format
StateInText | Reads state information written with StateOutText
StateInData |
StateClassData |
StateIn | Restores objects that derive from SavableState
StateOutData |
StateOut | Serializes objects that derive from SavableState
TranslateData | Generic data translation
TranslateDataByteSwap | Data translation to an external representation with bytes swapped
TranslateDataOut | Convert data to other formats
TranslateDataIn | Convert data from other formats
errno_exception |
LocalHSOSContribution |
LocalHSOSEnergyContribution |
LocalHSOSGradContribution |
point |
Taylor_Fjt_Eval |
TCPClientConnection |
TCPIOSocket |
TCPServerConnection |
TCPServerSocket |
TCPSocket |
vertex |
vertices |
YYSTYPE |