Here are the classes, structs, unions and interfaces with brief descriptions:
[detail level 123]
  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 |
| 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 |