 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 | 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 | 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 | 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 | Describes an in-plane component of a linear bend internal coordinate of a molecule |
  LinOPSimpleCo | 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 | 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 | Implements several second-order perturbation theory methods |
  MP2BasisExtrap | |
  BiggestContribs | |
  MBPT2_R12 | 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 | 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 | Base for classes implementing a self-consistent procedure for high-spin open-shell molecules |
  LocalLBGBuild | |
  LocalGBuild | |
  LocalTBGrad | |
  OSSHF | |
  LocalOSSContribution | |
  LocalOSSEnergyContribution | |
  LocalOSSGradContribution | |
  OSSSCF | |
  SCF | 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 | 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 | 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 | Concrete implementation of MessageGrp that uses the MPI 1 library |
  commbuf_struct | |
  msgbuf_struct | |
  ShmMessageGrp | 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 | 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 | Used to record the time spent in a section of code |
  Timer | 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 | |