<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <html><head><meta name="robots" content="noindex"> <meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1"> <title>Annotated Index</title> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body bgcolor="#ffffff"> <!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:16:39 2002 --> <center> <a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center> <hr><h1>MPQC Compound List</h1>Here are the classes, structs, unions and interfaces with brief descriptions:<ul> <li><a class="el" href="class_sc__AccResult.html">sc::AccResult</a> (This associates a result datum with an accuracy) <li><a class="el" href="class_sc__AccResultInfo.html">sc::AccResultInfo</a> (This is like <a class="el" href="class_sc__ResultInfo.html">ResultInfo</a> but the accuracy with which a result was computed as well as the desired accuracy are stored) <li><a class="el" href="class_sc__ActiveMsgMemoryGrp.html">sc::ActiveMsgMemoryGrp</a> (The <a class="el" href="class_sc__ActiveMsgMemoryGrp.html">ActiveMsgMemoryGrp</a> abstract class specializes the <a class="el" href="class_sc__MsgMemoryGrp.html">MsgMemoryGrp</a> class) <li><a class="el" href="class_sc__AngularIntegrator.html">sc::AngularIntegrator</a> (An abstract base class for angular integrators) <li><a class="el" href="class_sc__AtomInfo.html">sc::AtomInfo</a> (The <a class="el" href="class_sc__AtomInfo.html">AtomInfo</a> class provides information about atoms) <li><a class="el" href="class_sc__BcastState.html">sc::BcastState</a> (This creates and forwards/retrieves data from either a <a class="el" href="class_sc__BcastStateRecv.html">BcastStateRecv</a> or a <a class="el" href="class_sc__BcastStateSend.html">BcastStateSend</a> depending on the value of the argument to constructor) <li><a class="el" href="class_sc__BcastStateInBin.html">sc::BcastStateInBin</a> (BcastStateBin reads a file in written by <a class="el" href="class_sc__StateInBin.html">StateInBin</a> on node 0 and broadcasts it to all nodes so state can be simultaneously restored on all nodes) <li><a class="el" href="class_sc__BcastStateRecv.html">sc::BcastStateRecv</a> (<a class="el" href="class_sc__BcastStateRecv.html">BcastStateRecv</a> does the receive part of a broadcast of an object to all nodes) <li><a class="el" href="class_sc__BcastStateSend.html">sc::BcastStateSend</a> (<a class="el" href="class_sc__BcastStateSend.html">BcastStateSend</a> does the send part of a broadcast of an object to all nodes) <li><a class="el" href="class_sc__Becke88XFunctional.html">sc::Becke88XFunctional</a> (Implements Becke's 1988 exchange functional) <li><a class="el" href="class_sc__BeckeIntegrationWeight.html">sc::BeckeIntegrationWeight</a> (Implements Becke's integration weight scheme) <li><a class="el" href="class_sc__BendSimpleCo.html">sc::BendSimpleCo</a> (The <a class="el" href="class_sc__BendSimpleCo.html">BendSimpleCo</a> class describes an bend internal coordinate of a molecule) <li><a class="el" href="class_sc__BFGSUpdate.html">sc::BFGSUpdate</a> (The <a class="el" href="class_sc__DFPUpdate.html">DFPUpdate</a> class is used to specify a Broyden, Fletcher, Goldfarb, and Shanno hessian update scheme) <li><a class="el" href="class_sc__CartesianIter.html">sc::CartesianIter</a> (<a class="el" href="class_sc__CartesianIter.html">CartesianIter</a> gives the ordering of the Cartesian functions within a shell for the particular integrals specialization) <li><a class="el" href="class_sc__CartMolecularCoor.html">sc::CartMolecularCoor</a> (The <a class="el" href="class_sc__CartMolecularCoor.html">CartMolecularCoor</a> class implements Cartesian coordinates in a way suitable for use in geometry optimizations) <li><a class="el" href="class_sc__CharacterTable.html">sc::CharacterTable</a> (The <a class="el" href="class_sc__CharacterTable.html">CharacterTable</a> class provides a workable character table for all of the non-cubic point groups) <li><a class="el" href="class_sc__ClassDesc.html">sc::ClassDesc</a> (This class is used to contain information about classes) <li><a class="el" href="class_sc__ClassKey.html">sc::ClassKey</a> (Provides a key into a map of classes) <li><a class="el" href="class_sc__CLHF.html">sc::CLHF</a> (<a class="el" href="class_sc__CLHF.html">CLHF</a> is a Hartree-Fock specialization of <a class="el" href="class_sc__CLSCF.html">CLSCF</a>) <li><a class="el" href="class_sc__CLSCF.html">sc::CLSCF</a> (The <a class="el" href="class_sc__CLSCF.html">CLSCF</a> class is a base for classes implementing a self-consistent procedure for closed-shell molecules) <li><a class="el" href="class_sc__Compute.html">sc::Compute</a> (The <a class="el" href="class_sc__Compute.html">Compute</a> class provides a means of keeping results up to date) <li><a class="el" href="class_sc__ConnollyShape.html">sc::ConnollyShape</a> (<a class="el" href="class_sc__DiscreteConnollyShape.html">DiscreteConnollyShape</a> and <a class="el" href="class_sc__ConnollyShape.html">ConnollyShape</a> should produce the same result) <li><a class="el" href="class_sc__Convergence.html">sc::Convergence</a> (The <a class="el" href="class_sc__Convergence.html">Convergence</a> class is used by the optimizer to determine when an optimization is converged) <li><a class="el" href="class_sc__CorrelationTable.html">sc::CorrelationTable</a> (The <a class="el" href="class_sc__CorrelationTable.html">CorrelationTable</a> class provides a correlation table between two point groups) <li><a class="el" href="class_sc__Debugger.html">sc::Debugger</a> (The <a class="el" href="class_sc__Debugger.html">Debugger</a> class describes what should be done when a catastrophic error causes unexpected program termination) <li><a class="el" href="class_sc__DenFunctional.html">sc::DenFunctional</a> (An abstract base class for density functionals) <li><a class="el" href="class_sc__DenIntegrator.html">sc::DenIntegrator</a> (An abstract base class for integrating the electron density) <li><a class="el" href="class_sc__DerivCenters.html">sc::DerivCenters</a> (<a class="el" href="class_sc__DerivCenters.html">DerivCenters</a> keeps track the centers that derivatives are taken with respect to) <li><a class="el" href="class_sc__DescribedClass.html">sc::DescribedClass</a> (Classes which need runtime information about themselves and their relationship to other classes can virtually inherit from <a class="el" href="class_sc__DescribedClass.html">DescribedClass</a>) <li><a class="el" href="class_sc__DFPUpdate.html">sc::DFPUpdate</a> (The <a class="el" href="class_sc__DFPUpdate.html">DFPUpdate</a> class is used to specify a Davidson, Fletcher, and Powell hessian update scheme) <li><a class="el" href="class_sc__DiagSCMatrix.html">sc::DiagSCMatrix</a> (The <a class="el" href="class_sc__SymmSCMatrix.html">SymmSCMatrix</a> class is the abstract base class for diagonal double valued matrices) <li><a class="el" href="class_sc__DIIS.html">sc::DIIS</a> (The <a class="el" href="class_sc__DIIS.html">DIIS</a> class provides <a class="el" href="class_sc__DIIS.html">DIIS</a> extrapolation) <li><a class="el" href="class_sc__DiscreteConnollyShape.html">sc::DiscreteConnollyShape</a> (<a class="el" href="class_sc__DiscreteConnollyShape.html">DiscreteConnollyShape</a> and <a class="el" href="class_sc__ConnollyShape.html">ConnollyShape</a> should produce the same result) <li><a class="el" href="class_sc__DistSCMatrixKit.html">sc::DistSCMatrixKit</a> (The <a class="el" href="class_sc__DistSCMatrixKit.html">DistSCMatrixKit</a> produces matrices that work in a many processor environment) <li><a class="el" href="class_sc__DistShellPair.html">sc::DistShellPair</a> (Distributes shell pairs either statically or dynamically) <li><a class="el" href="class_sc__EFCOpt.html">sc::EFCOpt</a> (The <a class="el" href="class_sc__EFCOpt.html">EFCOpt</a> class implements eigenvector following as described by Baker in J) <li><a class="el" href="class_sc__EulerMaclaurinRadialIntegrator.html">sc::EulerMaclaurinRadialIntegrator</a> (An implementation of a radial integrator using the Euler-Maclaurin weights and grid points) <li><a class="el" href="class_sc__ExEnv.html">sc::ExEnv</a> (The <a class="el" href="class_sc__ExEnv.html">ExEnv</a> class is used to find out about how the program is being run) <li><a class="el" href="class_sc__FinDispMolecularHessian.html">sc::FinDispMolecularHessian</a> (Computes the molecular hessian by finite displacements of gradients) <li><a class="el" href="class_sc__ForceLink.html">sc::ForceLink</a> (This, together with <a class="el" href="class_sc__ForceLinkBase.html">ForceLinkBase</a>, is used to force code for particular classes to be linked into executables) <li><a class="el" href="class_sc__ForceLinkBase.html">sc::ForceLinkBase</a> (This, together with <a class="el" href="class_sc__ForceLink.html">ForceLink</a>, is used to force code for particular classes to be linked into executables) <li><a class="el" href="class_sc__Function.html">sc::Function</a> (The <a class="el" href="class_sc__Function.html">Function</a> class is an abstract base class that, given a set of coordinates, will compute a value and possibly a gradient and hessian at that point) <li><a class="el" href="class_sc__G96XFunctional.html">sc::G96XFunctional</a> (Implements the Gill 1996 (G96) exchange functional) <li><a class="el" href="class_sc__GaussianBasisSet.html">sc::GaussianBasisSet</a> (The <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> class is used describe a basis set composed of atomic gaussian orbitals) <li><a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a> (A Gaussian orbital shell) <li><a class="el" href="class_sc__GaussLegendreAngularIntegrator.html">sc::GaussLegendreAngularIntegrator</a> (An implementation of an angular integrator using the Gauss-Legendre weights and grid points) <li><a class="el" href="class_sc__HessianUpdate.html">sc::HessianUpdate</a> (The <a class="el" href="class_sc__HessianUpdate.html">HessianUpdate</a> abstract class is used to specify a hessian update scheme) <li><a class="el" href="class_sc__HSOSHF.html">sc::HSOSHF</a> (<a class="el" href="class_sc__HSOSHF.html">HSOSHF</a> is a Hartree-Fock specialization of <a class="el" href="class_sc__HSOSSCF.html">HSOSSCF</a>) <li><a class="el" href="class_sc__HSOSSCF.html">sc::HSOSSCF</a> (The <a class="el" href="class_sc__HSOSSCF.html">HSOSSCF</a> class is a base for classes implementing a self-consistent procedure for high-spin open-shell molecules) <li><a class="el" href="class_sc__Identifier.html">sc::Identifier</a> (<a class="el" href="class_sc__Identifier.html">Identifier</a>'s are used to distinguish and order objects) <li><a class="el" href="class_sc__Identity.html">sc::Identity</a> (<a class="el" href="class_sc__Identity.html">Identity</a> gives objects a unique identity and ordering relationship relative to all other objects) <li><a class="el" href="class_sc__IdentityTransform.html">sc::IdentityTransform</a> (The <a class="el" href="class_sc__IdentityTransform.html">IdentityTransform</a> is a special case of <a class="el" href="class_sc__NonlinearTransform.html">NonlinearTransform</a> were no transformation takes place) <li><a class="el" href="class_sc__Int1eV3.html">sc::Int1eV3</a> (<a class="el" href="class_sc__Int2eV3.html">Int2eV3</a> is a class wrapper for the one body part of the C language IntV3 library) <li><a class="el" href="class_sc__Int2eV3.html">sc::Int2eV3</a> (<a class="el" href="class_sc__Int2eV3.html">Int2eV3</a> is a class wrapper for the two body part of the C language IntV3 library) <li><a class="el" href="class_sc__IntCoor.html">sc::IntCoor</a> (The <a class="el" href="class_sc__IntCoor.html">IntCoor</a> abstract class describes an internal coordinate of a molecule) <li><a class="el" href="class_sc__IntCoorGen.html">sc::IntCoorGen</a> (<a class="el" href="class_sc__IntCoorGen.html">IntCoorGen</a> generates a set of simple internal coordinates for a molecule) <li><a class="el" href="class_sc__Integral.html">sc::Integral</a> (The <a class="el" href="class_sc__Integral.html">Integral</a> abstract class acts as a factory to provide objects that compute one and two electron integrals) <li><a class="el" href="class_sc__IntegralV3.html">sc::IntegralV3</a> (<a class="el" href="class_sc__IntegralV3.html">IntegralV3</a> computes integrals between Gaussian basis functions) <li><a class="el" href="class_sc__IntegrationWeight.html">sc::IntegrationWeight</a> (An abstract base class for computing grid weights) <li><a class="el" href="class_sc__intMessageGrp.html">sc::intMessageGrp</a> (Uses integer message types to send and receive messages) <li><a class="el" href="class_sc__IntMolecularCoor.html">sc::IntMolecularCoor</a> (The <a class="el" href="class_sc__IntMolecularCoor.html">IntMolecularCoor</a> abstract class describes a molecule's coordinates in terms of internal coordinates) <li><a class="el" href="class_sc__IrreducibleRepresentation.html">sc::IrreducibleRepresentation</a> (The <a class="el" href="class_sc__IrreducibleRepresentation.html">IrreducibleRepresentation</a> class provides information associated with a particular irreducible representation of a point group) <li><a class="el" href="class_sc__ISphericalTransform.html">sc::ISphericalTransform</a> (This describes a solid harmonic to Cartesian transform) <li><a class="el" href="class_sc__KeyVal.html">sc::KeyVal</a> (The <a class="el" href="class_sc__KeyVal.html">KeyVal</a> class is designed to simplify the process of allowing a user to specify keyword/value associations to a C++ program) <li><a class="el" href="class_sc__LebedevLaikovIntegrator.html">sc::LebedevLaikovIntegrator</a> (An implementation of a Lebedev angular integrator) <li><a class="el" href="class_sc__LineOpt.html">sc::LineOpt</a> (The <a class="el" href="class_sc__LineOpt.html">LineOpt</a> abstract class is used to perform one dimensional optimizations) <li><a class="el" href="class_sc__LinIPSimpleCo.html">sc::LinIPSimpleCo</a> (The <a class="el" href="class_sc__LinIPSimpleCo.html">LinIPSimpleCo</a> class describes an in-plane component of a linear bend internal coordinate of a molecule) <li><a class="el" href="class_sc__LinOPSimpleCo.html">sc::LinOPSimpleCo</a> (The <a class="el" href="class_sc__LinOPSimpleCo.html">LinOPSimpleCo</a> class describes an out-of-plane component of a linear bend internal coordinate of a molecule) <li><a class="el" href="class_sc__LocalSCMatrixKit.html">sc::LocalSCMatrixKit</a> (The <a class="el" href="class_sc__LocalSCMatrixKit.html">LocalSCMatrixKit</a> produces matrices that work in a single processor environment) <li><a class="el" href="class_sc__LSDACFunctional.html">sc::LSDACFunctional</a> (An abstract base class for local correlation functionals) <li><a class="el" href="class_sc__LYPCFunctional.html">sc::LYPCFunctional</a> (Implements the Lee, Yang, and Parr functional) <li><a class="el" href="class_sc__MBPT2.html">sc::MBPT2</a> (The <a class="el" href="class_sc__MBPT2.html">MBPT2</a> class implements several second-order perturbation theory methods) <li><a class="el" href="class_sc__MemoryGrp.html">sc::MemoryGrp</a> (The <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a> abstract class provides a way of accessing distributed memory in a parallel machine) <li><a class="el" href="class_sc__MemoryGrpBuf.html">sc::MemoryGrpBuf</a> (The MemoryGrpBug class provides access to pieces of the global shared memory that have been obtained with <a class="el" href="class_sc__MemoryGrp.html">MemoryGrp</a>) <li><a class="el" href="class_sc__MessageGrp.html">sc::MessageGrp</a> (The <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a> abstract class provides a mechanism for moving data and objects between nodes in a parallel machine) <li><a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a> (The <a class="el" href="class_sc__MolecularCoor.html">MolecularCoor</a> abstract class describes the coordinate system used to describe a molecule) <li><a class="el" href="class_sc__MolecularEnergy.html">sc::MolecularEnergy</a> (The <a class="el" href="class_sc__MolecularEnergy.html">MolecularEnergy</a> abstract class inherits from the <a class="el" href="class_sc__Function.html">Function</a> class) <li><a class="el" href="class_sc__MolecularFormula.html">sc::MolecularFormula</a> (The <a class="el" href="class_sc__MolecularFormula.html">MolecularFormula</a> class is used to calculate the molecular formula of a <a class="el" href="class_sc__Molecule.html">Molecule</a>) <li><a class="el" href="class_sc__MolecularFrequencies.html">sc::MolecularFrequencies</a> (The <a class="el" href="class_sc__MolecularFrequencies.html">MolecularFrequencies</a> class is used to compute the molecular frequencies and thermodynamic information) <li><a class="el" href="class_sc__Molecule.html">sc::Molecule</a> (The <a class="el" href="class_sc__Molecule.html">Molecule</a> class contains information about molecules) <li><a class="el" href="class_sc__MPIMessageGrp.html">sc::MPIMessageGrp</a> (The <a class="el" href="class_sc__MPIMessageGrp.html">MPIMessageGrp</a> class is an concrete implementation of <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a> that uses the MPI 1 library) <li><a class="el" href="class_sc__mPW91XFunctional.html">sc::mPW91XFunctional</a> (Implements a modified 1991 Perdew-Wang exchange functional) <li><a class="el" href="class_sc__MsgMemoryGrp.html">sc::MsgMemoryGrp</a> (A <a class="el" href="class_sc__MsgMemoryGrp.html">MsgMemoryGrp</a> that initializes its data using a messagegrp) <li><a class="el" href="class_sc__MsgStateBufRecv.html">sc::MsgStateBufRecv</a> (The <a class="el" href="class_sc__MsgStateBufRecv.html">MsgStateBufRecv</a> is an abstract base class that buffers objects sent through a <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a>) <li><a class="el" href="class_sc__MsgStateRecv.html">sc::MsgStateRecv</a> (The <a class="el" href="class_sc__MsgStateRecv.html">MsgStateRecv</a> is an abstract base class that receives objects from nodes in a <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a>) <li><a class="el" href="class_sc__MsgStateSend.html">sc::MsgStateSend</a> (The <a class="el" href="class_sc__MsgStateSend.html">MsgStateSend</a> is an abstract base class that sends objects to nodes in a <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a>) <li><a class="el" href="class_sc__MTMPIMemoryGrp.html">sc::MTMPIMemoryGrp</a> (This <a class="el" href="class_sc__MemoryGrp.html">MemoryGrp</a> class requires a MT-safe MPI implementation) <li><a class="el" href="class_sc__NCAccResult.html">sc::NCAccResult</a> (This associates a result non-class datum with an accuracy) <li><a class="el" href="class_sc__NCResult.html">sc::NCResult</a> (This is similar to <a class="el" href="class_sc__Result.html">Result</a>, but can be used with non-class types) <li><a class="el" href="class_sc__NElFunctional.html">sc::NElFunctional</a> (The <a class="el" href="class_sc__NElFunctional.html">NElFunctional</a> computes the number of electrons) <li><a class="el" href="class_sc__NonlinearTransform.html">sc::NonlinearTransform</a> (The <a class="el" href="class_sc__NonlinearTransform.html">NonlinearTransform</a> class transforms between two nonlinear coordinate systems) <li><a class="el" href="class_sc__OneBodyDerivInt.html">sc::OneBodyDerivInt</a> (<a class="el" href="class_sc__OneBodyInt.html">OneBodyInt</a> is an abstract base class for objects that compute one body derivative integrals) <li><a class="el" href="class_sc__OneBodyDerivIntV3.html">sc::OneBodyDerivIntV3</a> (This implements one body derivative integrals in the IntV3 library) <li><a class="el" href="class_sc__OneBodyInt.html">sc::OneBodyInt</a> (<a class="el" href="class_sc__OneBodyInt.html">OneBodyInt</a> is an abstract base class for objects that compute integrals between two basis functions) <li><a class="el" href="class_sc__OneBodyIntV3.html">sc::OneBodyIntV3</a> (This implements most one body integrals in the IntV3 library) <li><a class="el" href="class_sc__OneBodyWavefunction.html">sc::OneBodyWavefunction</a> (A <a class="el" href="class_sc__OneBodyWavefunction.html">OneBodyWavefunction</a> is a <a class="el" href="class_sc__MolecularEnergy.html">MolecularEnergy</a> that solves an effective one-body problem) <li><a class="el" href="class_sc__Optimize.html">sc::Optimize</a> (The <a class="el" href="class_sc__Optimize.html">Optimize</a> class is an abstract base class for classes that find the extreme points of <a class="el" href="class_sc__Function.html">Function</a>'s) <li><a class="el" href="class_sc__P86CFunctional.html">sc::P86CFunctional</a> (Implements the Perdew 1986 (P86) correlation functional) <li><a class="el" href="class_sc__ParentClass.html">sc::ParentClass</a> (Gives one parent class of a class) <li><a class="el" href="class_sc__ParentClasses.html">sc::ParentClasses</a> (Gives a list of parent classes of a class) <li><a class="el" href="class_sc__ParsedKeyVal.html">sc::ParsedKeyVal</a> (Converts textual information into keyword/value assocations) <li><a class="el" href="class_sc__PBECFunctional.html">sc::PBECFunctional</a> (Implements the Perdew-Burke-Ernzerhof (PBE) correlation functional) <li><a class="el" href="class_sc__PBEXFunctional.html">sc::PBEXFunctional</a> (Implements the Perdew-Burke-Ernzerhof (PBE) exchange functional) <li><a class="el" href="class_sc__PointGroup.html">sc::PointGroup</a> (The <a class="el" href="class_sc__PointGroup.html">PointGroup</a> class is really a place holder for a <a class="el" href="class_sc__CharacterTable.html">CharacterTable</a>) <li><a class="el" href="struct_sc__PointInputData.html">sc::PointInputData</a> (Contains data needed at each point by a <a class="el" href="class_sc__DenFunctional.html">DenFunctional</a>) <li><a class="el" href="struct_sc__PointOutputData.html">sc::PointOutputData</a> (Contains data generated at each point by a <a class="el" href="class_sc__DenFunctional.html">DenFunctional</a>) <li><a class="el" href="class_sc__PowellUpdate.html">sc::PowellUpdate</a> (The <a class="el" href="class_sc__PowellUpdate.html">PowellUpdate</a> class is used to specify a Powell hessian update) <li><a class="el" href="class_sc__ProcMemoryGrp.html">sc::ProcMemoryGrp</a> (The <a class="el" href="class_sc__ProcMessageGrp.html">ProcMessageGrp</a> concrete class provides an implementation of <a class="el" href="class_sc__MemoryGrp.html">MemoryGrp</a> for a single processor) <li><a class="el" href="class_sc__ProcMessageGrp.html">sc::ProcMessageGrp</a> (<a class="el" href="class_sc__ProcMessageGrp.html">ProcMessageGrp</a> provides a concrete specialization of <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a> that supports only one node) <li><a class="el" href="class_sc__ProcThreadGrp.html">sc::ProcThreadGrp</a> (The <a class="el" href="class_sc__ProcThreadGrp.html">ProcThreadGrp</a> class privides a concrete thread group appropriate for an environment where there is only one thread) <li><a class="el" href="class_sc__PsiCCSD.html">sc::PsiCCSD</a> (<a class="el" href="class_sc__PsiCCSD.html">PsiCCSD</a> is a concrete implementation of Psi CCSD wave function) <li><a class="el" href="class_sc__PsiCCSD_T.html">sc::PsiCCSD_T</a> (<a class="el" href="class_sc__PsiCCSD_T.html">PsiCCSD_T</a> is a concrete implementation of Psi CCSD(T) wave function) <li><a class="el" href="class_sc__PsiCLHF.html">sc::PsiCLHF</a> (<a class="el" href="class_sc__PsiCLHF.html">PsiCLHF</a> is a concrete implementation of Psi RHF wave function) <li><a class="el" href="class_sc__PsiExEnv.html">sc::PsiExEnv</a> (<a class="el" href="class_sc__PsiExEnv.html">PsiExEnv</a> specifies a Psi calculation) <li><a class="el" href="class_sc__PsiFile11.html">sc::PsiFile11</a> (<a class="el" href="class_sc__PsiFile11.html">PsiFile11</a> is a Psi gradient file) <li><a class="el" href="class_sc__PsiHSOSHF.html">sc::PsiHSOSHF</a> (<a class="el" href="class_sc__PsiHSOSHF.html">PsiHSOSHF</a> is a concrete implementation of Psi ROHF wave function) <li><a class="el" href="class_sc__PsiInput.html">sc::PsiInput</a> (<a class="el" href="class_sc__PsiInput.html">PsiInput</a> is a Psi input file) <li><a class="el" href="class_sc__PsiSCF.html">sc::PsiSCF</a> (<a class="el" href="class_sc__PsiSCF.html">PsiSCF</a> is an abstract base for all Psi <a class="el" href="class_sc__SCF.html">SCF</a> wave functions) <li><a class="el" href="class_sc__PsiUHF.html">sc::PsiUHF</a> (<a class="el" href="class_sc__PsiUHF.html">PsiUHF</a> is a concrete implementation of Psi UHF wave function) <li><a class="el" href="class_sc__PsiWavefunction.html">sc::PsiWavefunction</a> (<a class="el" href="class_sc__PsiWavefunction.html">PsiWavefunction</a> is an abstract base for all Psi wave functions) <li><a class="el" href="class_sc__PthreadThreadGrp.html">sc::PthreadThreadGrp</a> (The <a class="el" href="class_sc__PthreadThreadGrp.html">PthreadThreadGrp</a> class privides a concrete thread group appropriate for an environment where pthreads is available) <li><a class="el" href="class_sc__PumaThreadGrp.html">sc::PumaThreadGrp</a> (The <a class="el" href="class_sc__PumaThreadGrp.html">PumaThreadGrp</a> class privides a concrete thread group appropriate for the intel teraflops machine) <li><a class="el" href="class_sc__PW86XFunctional.html">sc::PW86XFunctional</a> (Implements the Perdew-Wang 1986 (PW86) Exchange functional) <li><a class="el" href="class_sc__PW91CFunctional.html">sc::PW91CFunctional</a> (The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional) <li><a class="el" href="class_sc__PW91XFunctional.html">sc::PW91XFunctional</a> (The Perdew-Wang 1991 exchange functional computes energies and densities using the designated local correlation functional) <li><a class="el" href="class_sc__PW92LCFunctional.html">sc::PW92LCFunctional</a> (Implements the PW92 local (LSDA) correlation term) <li><a class="el" href="class_sc__PZ81LCFunctional.html">sc::PZ81LCFunctional</a> (Implements the PZ81 local (LSDA) correlation functional) <li><a class="el" href="class_sc__QNewtonOpt.html">sc::QNewtonOpt</a> (The <a class="el" href="class_sc__QNewtonOpt.html">QNewtonOpt</a> implements a quasi-Newton optimization scheme) <li><a class="el" href="class_sc__RadialAngularIntegrator.html">sc::RadialAngularIntegrator</a> (An implementation of an integrator using any combination of a RadianIntegrator and an <a class="el" href="class_sc__AngularIntegrator.html">AngularIntegrator</a>) <li><a class="el" href="class_sc__RadialIntegrator.html">sc::RadialIntegrator</a> (An abstract base class for radial integrators) <li><a class="el" href="class_sc__RedundantCartesianIter.html">sc::RedundantCartesianIter</a> (<a class="el" href="class_sc__RedundantCartesianIter.html">RedundantCartesianIter</a> objects loop through all possible combinations of a given number of axes) <li><a class="el" href="class_sc__RedundantCartesianSubIter.html">sc::RedundantCartesianSubIter</a> (Like <a class="el" href="class_sc__RedundantCartesianIter.html">RedundantCartesianIter</a>, except a, b, and c are fixed to a given value) <li><a class="el" href="class_sc__RedundMolecularCoor.html">sc::RedundMolecularCoor</a> (The <a class="el" href="class_sc__RedundMolecularCoor.html">RedundMolecularCoor</a> class provides a redundant set of simple internal coordinates) <li><a class="el" href="class_sc__Ref.html">sc::Ref</a> (A template class that maintains references counts) <li><a class="el" href="class_sc__RefBase.html">sc::RefBase</a> (Provides a few utility routines common to all <a class="el" href="class_sc__Ref.html">Ref</a> template instantiations) <li><a class="el" href="class_sc__RefCount.html">sc::RefCount</a> (The base class for all reference counted objects) <li><a class="el" href="class_sc__RefDiagSCMatrix.html">sc::RefDiagSCMatrix</a> (The <a class="el" href="class_sc__RefDiagSCMatrix.html">RefDiagSCMatrix</a> class is a smart pointer to an <a class="el" href="class_sc__DiagSCMatrix.html">DiagSCMatrix</a> specialization) <li><a class="el" href="class_sc__RefSCDimension.html">sc::RefSCDimension</a> (The <a class="el" href="class_sc__RefSCDimension.html">RefSCDimension</a> class is a smart pointer to an <a class="el" href="class_sc__SCDimension.html">SCDimension</a> specialization) <li><a class="el" href="class_sc__RefSCMatrix.html">sc::RefSCMatrix</a> (The <a class="el" href="class_sc__RefSCMatrix.html">RefSCMatrix</a> class is a smart pointer to an <a class="el" href="class_sc__SCMatrix.html">SCMatrix</a> specialization) <li><a class="el" href="class_sc__RefSCVector.html">sc::RefSCVector</a> (The <a class="el" href="class_sc__RefSCVector.html">RefSCVector</a> class is a smart pointer to an <a class="el" href="class_sc__SCVector.html">SCVector</a> specialization) <li><a class="el" href="class_sc__RefSymmSCMatrix.html">sc::RefSymmSCMatrix</a> (The <a class="el" href="class_sc__RefSymmSCMatrix.html">RefSymmSCMatrix</a> class is a smart pointer to an SCSymmSCMatrix specialization) <li><a class="el" href="class_sc__ReplSCMatrixKit.html">sc::ReplSCMatrixKit</a> (The <a class="el" href="class_sc__ReplSCMatrixKit.html">ReplSCMatrixKit</a> produces matrices that work in a many processor environment) <li><a class="el" href="class_sc__Result.html">sc::Result</a> (<a class="el" href="class_sc__Result.html">Result</a> are members of <a class="el" href="class_sc__Compute.html">Compute</a> specializations that keep track of whether or not a particular result should be computed or if it has already been computed) <li><a class="el" href="class_sc__ResultInfo.html">sc::ResultInfo</a> (This is a base class for all of <a class="el" href="class_sc__Compute.html">Compute</a>'s result types) <li><a class="el" href="class_sc__SavableState.html">sc::SavableState</a> (Base class for objects that can save/restore state) <li><a class="el" href="class_sc__SavableStateProxy.html">sc::SavableStateProxy</a> (Create a proxy for a <a class="el" href="class_sc__SavableState.html">SavableState</a> object) <li><a class="el" href="class_sc__ScaledTorsSimpleCo.html">sc::ScaledTorsSimpleCo</a> (The <a class="el" href="class_sc__ScaledTorsSimpleCo.html">ScaledTorsSimpleCo</a> class describes an scaled torsion internal coordinate of a molecule) <li><a class="el" href="class_sc__SCBlockInfo.html">sc::SCBlockInfo</a> (<a class="el" href="class_sc__SCBlockInfo.html">SCBlockInfo</a> contains blocking information for the <a class="el" href="class_sc__SCDimension.html">SCDimension</a> class) <li><a class="el" href="class_sc__SCDimension.html">sc::SCDimension</a> (The <a class="el" href="class_sc__SCDimension.html">SCDimension</a> class is used to determine the size and blocking of matrices) <li><a class="el" href="class_sc__SCElementOp.html">sc::SCElementOp</a> (Objects of class <a class="el" href="class_sc__SCElementOp.html">SCElementOp</a> are used to perform operations on the elements of matrices) <li><a class="el" href="class_sc__SCElementOp2.html">sc::SCElementOp2</a> (The <a class="el" href="class_sc__SCElementOp2.html">SCElementOp2</a> class is very similar to the <a class="el" href="class_sc__SCElementOp.html">SCElementOp</a> class except that pairs of blocks are treated simultaneously) <li><a class="el" href="class_sc__SCElementOp3.html">sc::SCElementOp3</a> (The <a class="el" href="class_sc__SCElementOp3.html">SCElementOp3</a> class is very similar to the <a class="el" href="class_sc__SCElementOp.html">SCElementOp</a> class except that a triplet of blocks is treated simultaneously) <li><a class="el" href="class_sc__SCExtrapData.html">sc::SCExtrapData</a> (<a class="el" href="class_sc__SCExtrapData.html">SCExtrapData</a> hold the data to be extrapolated needed by <a class="el" href="class_sc__SelfConsistentExtrapolation.html">SelfConsistentExtrapolation</a>) <li><a class="el" href="class_sc__SCExtrapError.html">sc::SCExtrapError</a> (<a class="el" href="class_sc__SCExtrapError.html">SCExtrapError</a> holds the error data needed by <a class="el" href="class_sc__SelfConsistentExtrapolation.html">SelfConsistentExtrapolation</a>) <li><a class="el" href="class_sc__SCF.html">sc::SCF</a> (The <a class="el" href="class_sc__SCF.html">SCF</a> class is the base for all classes that use a self-consistent field procedure to solve an effective one body problem) <li><a class="el" href="class_sc__SCFormIO.html">sc::SCFormIO</a> (This utility class is used to print only on node 0 and to provide attractive indentation of output) <li><a class="el" href="class_sc__SCMatrix.html">sc::SCMatrix</a> (The <a class="el" href="class_sc__SCMatrix.html">SCMatrix</a> class is the abstract base class for general double valued n by m matrices) <li><a class="el" href="class_sc__SCMatrixBlock.html">sc::SCMatrixBlock</a> (<a class="el" href="class_sc__SCMatrixBlock.html">SCMatrixBlock</a> is the base clase for all types of blocks that comprise matrices and vectors) <li><a class="el" href="class_sc__SCMatrixBlockIter.html">sc::SCMatrixBlockIter</a> (The <a class="el" href="class_sc__SCMatrixBlockIter.html">SCMatrixBlockIter</a> class is used to described iterates that loop through the elements in a block) <li><a class="el" href="class_sc__SCMatrixDiagBlock.html">sc::SCMatrixDiagBlock</a> (The <a class="el" href="class_sc__SCMatrixDiagBlock.html">SCMatrixDiagBlock</a> describes a diagonal piece of a matrix) <li><a class="el" href="class_sc__SCMatrixDiagSubBlock.html">sc::SCMatrixDiagSubBlock</a> (The <a class="el" href="class_sc__SCMatrixDiagSubBlock.html">SCMatrixDiagSubBlock</a> describes a diagonal subblock of a matrix) <li><a class="el" href="class_sc__SCMatrixKit.html">sc::SCMatrixKit</a> (The <a class="el" href="class_sc__SCMatrixKit.html">SCMatrixKit</a> abstract class acts as a factory for producing matrices) <li><a class="el" href="class_sc__SCMatrixLTriBlock.html">sc::SCMatrixLTriBlock</a> (The <a class="el" href="class_sc__SCMatrixLTriBlock.html">SCMatrixLTriBlock</a> describes a triangular piece of a matrix) <li><a class="el" href="class_sc__SCMatrixLTriSubBlock.html">sc::SCMatrixLTriSubBlock</a> (The <a class="el" href="class_sc__SCMatrixLTriSubBlock.html">SCMatrixLTriSubBlock</a> describes a triangular subblock of a matrix) <li><a class="el" href="class_sc__SCMatrixRectBlock.html">sc::SCMatrixRectBlock</a> (The <a class="el" href="class_sc__SCMatrixRectBlock.html">SCMatrixRectBlock</a> describes a rectangular piece of a matrix) <li><a class="el" href="class_sc__SCMatrixRectSubBlock.html">sc::SCMatrixRectSubBlock</a> (The <a class="el" href="class_sc__SCMatrixRectSubBlock.html">SCMatrixRectSubBlock</a> describes a rectangular piece of a matrix) <li><a class="el" href="class_sc__SCMatrixSubblockIter.html">sc::SCMatrixSubblockIter</a> (Objects of class <a class="el" href="class_sc__SCMatrixSubblockIter.html">SCMatrixSubblockIter</a> are used to iterate through the blocks of a matrix) <li><a class="el" href="class_sc__scprintf.html">sc::scprintf</a> (This class allows <code>printf</code> like output to put sent to an <code>ostream</code>) <li><a class="el" href="class_sc__SCVector.html">sc::SCVector</a> (The <a class="el" href="class_sc__SCVector.html">SCVector</a> class is the abstract base class for double valued vectors) <li><a class="el" href="class_sc__SCVectorSimpleBlock.html">sc::SCVectorSimpleBlock</a> (The <a class="el" href="class_sc__SCVectorSimpleBlock.html">SCVectorSimpleBlock</a> describes a piece of a vector) <li><a class="el" href="class_sc__SCVectorSimpleSubBlock.html">sc::SCVectorSimpleSubBlock</a> (The <a class="el" href="class_sc__SCVectorSimpleSubBlock.html">SCVectorSimpleSubBlock</a> describes a subblock of a vector) <li><a class="el" href="class_sc__SelfConsistentExtrapolation.html">sc::SelfConsistentExtrapolation</a> (The <a class="el" href="class_sc__SelfConsistentExtrapolation.html">SelfConsistentExtrapolation</a> abstract class is used to iteratively solve equations requiring a self consistent solution, such as,) <li><a class="el" href="class_sc__SetIntCoor.html">sc::SetIntCoor</a> (The <a class="el" href="class_sc__SetIntCoor.html">SetIntCoor</a> class describes a set of internal coordinates) <li><a class="el" href="class_sc__Shape.html">sc::Shape</a> (A <a class="el" href="class_sc__Shape.html">Shape</a> is a <a class="el" href="class_sc__Volume.html">Volume</a> represents an 3D solid) <li><a class="el" href="class_sc__ShellRotation.html">sc::ShellRotation</a> (<a class="el" href="class_sc__Compute.html">Compute</a> the transformation matrices that maps a set of Cartesian functions into to another set of Cartesian functions in a rotated coordinate system) <li><a class="el" href="class_sc__ShmMemoryGrp.html">sc::ShmMemoryGrp</a> (The <a class="el" href="class_sc__ShmMemoryGrp.html">ShmMemoryGrp</a> concrete class provides an implementation of <a class="el" href="class_sc__MsgMemoryGrp.html">MsgMemoryGrp</a>) <li><a class="el" href="class_sc__ShmMessageGrp.html">sc::ShmMessageGrp</a> (The <a class="el" href="class_sc__ShmMessageGrp.html">ShmMessageGrp</a> class is an implementation of <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a> that allows multiple process to be started that communicate with shared memory) <li><a class="el" href="class_sc__SimpleCo.html">sc::SimpleCo</a> (The <a class="el" href="class_sc__SimpleCo.html">SimpleCo</a> abstract class describes a simple internal coordinate of a molecule) <li><a class="el" href="class_sc__SlaterXFunctional.html">sc::SlaterXFunctional</a> (Implements the Slater exchange functional) <li><a class="el" href="class_sc__SOBasis.html">sc::SOBasis</a> (A <a class="el" href="class_sc__SOBasis.html">SOBasis</a> object describes the transformation from an atomic orbital basis to a symmetry orbital basis) <li><a class="el" href="class_sc__SOTransform.html">sc::SOTransform</a> (<a class="el" href="class_sc__SOTransform.html">SOTransform</a> maintains a list of AO shells that are be used to compute the SO) <li><a class="el" href="class_sc__SOTransformFunction.html">sc::SOTransformFunction</a> (<a class="el" href="class_sc__SOTransformShell.html">SOTransformShell</a> describes how an AO function contributes to an SO function in a particular SO shell) <li><a class="el" href="class_sc__SOTransformShell.html">sc::SOTransformShell</a> (<a class="el" href="class_sc__SOTransformShell.html">SOTransformShell</a> maintains a list of AO functions contribute to an SO function in a particular SO shell) <li><a class="el" href="class_sc__SphericalTransform.html">sc::SphericalTransform</a> (This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation) <li><a class="el" href="class_sc__SphericalTransformComponent.html">sc::SphericalTransformComponent</a> (This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation) <li><a class="el" href="class_sc__SphericalTransformIter.html">sc::SphericalTransformIter</a> (This iterates through the components of a <a class="el" href="class_sc__SphericalTransform.html">SphericalTransform</a>) <li><a class="el" href="class_sc__SSAccResult.html">sc::SSAccResult</a> (This associates a result datum with an accuracy) <li><a class="el" href="class_sc__StateIn.html">sc::StateIn</a> (Restores objects that derive from <a class="el" href="class_sc__SavableState.html">SavableState</a>) <li><a class="el" href="class_sc__StateInBin.html">sc::StateInBin</a> (Read objects written with <a class="el" href="class_sc__StateOutBin.html">StateOutBin</a>) <li><a class="el" href="class_sc__StateInFile.html">sc::StateInFile</a> (Reads state information from a file) <li><a class="el" href="class_sc__StateInText.html">sc::StateInText</a> (Reads state information written with <a class="el" href="class_sc__StateOutText.html">StateOutText</a>) <li><a class="el" href="class_sc__StateOut.html">sc::StateOut</a> (Serializes objects that derive from <a class="el" href="class_sc__SavableState.html">SavableState</a>) <li><a class="el" href="class_sc__StateOutBin.html">sc::StateOutBin</a> (Save state to a binary file) <li><a class="el" href="class_sc__StateOutFile.html">sc::StateOutFile</a> (Writes state information to files) <li><a class="el" href="class_sc__StateOutText.html">sc::StateOutText</a> (Writes out state information in an almost human readable format) <li><a class="el" href="class_sc__StateRecv.html">sc::StateRecv</a> (<a class="el" href="class_sc__StateRecv.html">StateRecv</a> is a concrete specialization of <a class="el" href="class_sc__MsgStateRecv.html">MsgStateRecv</a> that does the receive part of point to point communication in a <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a>) <li><a class="el" href="class_sc__StateSend.html">sc::StateSend</a> (<a class="el" href="class_sc__StateSend.html">StateSend</a> is a concrete specialization of <a class="el" href="class_sc__MsgStateSend.html">MsgStateSend</a> that does the send part of point to point communication in a <a class="el" href="class_sc__MessageGrp.html">MessageGrp</a>) <li><a class="el" href="class_sc__StdDenFunctional.html">sc::StdDenFunctional</a> (The <a class="el" href="class_sc__StdDenFunctional.html">StdDenFunctional</a> class is used to construct the standard density functionals) <li><a class="el" href="class_sc__StreSimpleCo.html">sc::StreSimpleCo</a> (The <a class="el" href="class_sc__StreSimpleCo.html">StreSimpleCo</a> class describes an stretch internal coordinate of a molecule) <li><a class="el" href="class_sc__SumDenFunctional.html">sc::SumDenFunctional</a> (The <a class="el" href="class_sc__SumDenFunctional.html">SumDenFunctional</a> computes energies and densities using the a sum of energy density functions method) <li><a class="el" href="class_sc__SumIntCoor.html">sc::SumIntCoor</a> (<a class="el" href="class_sc__SumIntCoor.html">SumIntCoor</a> is used to construct linear combinations of internal coordinates) <li><a class="el" href="class_sc__SymmetryOperation.html">sc::SymmetryOperation</a> (The <a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a> class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection) <li><a class="el" href="class_sc__SymmMolecularCoor.html">sc::SymmMolecularCoor</a> (The <a class="el" href="class_sc__SymmMolecularCoor.html">SymmMolecularCoor</a> class derives from <a class="el" href="class_sc__IntMolecularCoor.html">IntMolecularCoor</a>) <li><a class="el" href="class_sc__SymmSCMatrix.html">sc::SymmSCMatrix</a> (The <a class="el" href="class_sc__SymmSCMatrix.html">SymmSCMatrix</a> class is the abstract base class for symmetric double valued matrices) <li><a class="el" href="class_sc__SymRep.html">sc::SymRep</a> (The <a class="el" href="class_sc__SymRep.html">SymRep</a> class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection) <li><a class="el" href="class_sc__Thread.html">sc::Thread</a> (The <a class="el" href="class_sc__Thread.html">Thread</a> abstract class defines an interface which must be implemented by classes wishing to be run as threads) <li><a class="el" href="class_sc__ThreadGrp.html">sc::ThreadGrp</a> (The <a class="el" href="class_sc__ThreadGrp.html">ThreadGrp</a> abstract class provides a means to manage separate threads of control) <li><a class="el" href="class_sc__ThreadLock.html">sc::ThreadLock</a> (The <a class="el" href="class_sc__ThreadLock.html">ThreadLock</a> abstract class provides mutex locks to be used in conjunction with <a class="el" href="class_sc__ThreadGrp.html">ThreadGrp</a>'s) <li><a class="el" href="class_sc__TorsSimpleCo.html">sc::TorsSimpleCo</a> (The <a class="el" href="class_sc__TorsSimpleCo.html">TorsSimpleCo</a> class describes an torsion internal coordinate of a molecule) <li><a class="el" href="class_sc__TranslateData.html">sc::TranslateData</a> (Generic data translation) <li><a class="el" href="class_sc__TranslateDataByteSwap.html">sc::TranslateDataByteSwap</a> (Data translation to an external representation with bytes swapped) <li><a class="el" href="class_sc__TranslateDataIn.html">sc::TranslateDataIn</a> (Convert data from other formats) <li><a class="el" href="class_sc__TranslateDataOut.html">sc::TranslateDataOut</a> (Convert data to other formats) <li><a class="el" href="class_sc__TwoBodyDerivInt.html">sc::TwoBodyDerivInt</a> (This is an abstract base type for classes that compute integrals involving two electrons) <li><a class="el" href="class_sc__TwoBodyDerivIntV3.html">sc::TwoBodyDerivIntV3</a> (This implements electron repulsion derivative integrals in the IntV3 library) <li><a class="el" href="class_sc__TwoBodyInt.html">sc::TwoBodyInt</a> (This is an abstract base type for classes that compute integrals involving two electrons) <li><a class="el" href="class_sc__TwoBodyIntV3.html">sc::TwoBodyIntV3</a> (This implements electron repulsion integrals in the IntV3 library) <li><a class="el" href="class_sc__UnionShape.html">sc::UnionShape</a> (A <a class="el" href="class_sc__UnionShape.html">UnionShape</a> is volume enclosed by a set of <a class="el" href="class_sc__Shape.html">Shape</a>'s) <li><a class="el" href="class_sc__Units.html">sc::Units</a> (The <a class="el" href="class_sc__Units.html">Units</a> class is used to perform unit converions) <li><a class="el" href="class_sc__UnrestrictedSCF.html">sc::UnrestrictedSCF</a> (A base class for unrestricted self-consistent-field methods) <li><a class="el" href="class_sc__GaussianBasisSet__ValueData.html">sc::GaussianBasisSet::ValueData</a> (This holds scratch data needed to compute basis function values) <li><a class="el" href="class_sc__VDWShape.html">sc::VDWShape</a> (The <a class="el" href="class_sc__VDWShape.html">VDWShape</a> class describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom) <li><a class="el" href="class_sc__Volume.html">sc::Volume</a> (A <a class="el" href="class_sc__Volume.html">Volume</a> is a <a class="el" href="class_sc__Function.html">Function</a> of three variables) <li><a class="el" href="class_sc__VWN1LCFunctional.html">sc::VWN1LCFunctional</a> (The <a class="el" href="class_sc__VWN1LCFunctional.html">VWN1LCFunctional</a> computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair)) <li><a class="el" href="class_sc__VWN2LCFunctional.html">sc::VWN2LCFunctional</a> (The <a class="el" href="class_sc__VWN2LCFunctional.html">VWN2LCFunctional</a> computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair)) <li><a class="el" href="class_sc__VWN3LCFunctional.html">sc::VWN3LCFunctional</a> (The <a class="el" href="class_sc__VWN3LCFunctional.html">VWN3LCFunctional</a> computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair)) <li><a class="el" href="class_sc__VWN4LCFunctional.html">sc::VWN4LCFunctional</a> (The <a class="el" href="class_sc__VWN4LCFunctional.html">VWN4LCFunctional</a> computes energies and densities using the VWN4 local correlation term (from Vosko, Wilk, and Nusair)) <li><a class="el" href="class_sc__VWN5LCFunctional.html">sc::VWN5LCFunctional</a> (The <a class="el" href="class_sc__VWN5LCFunctional.html">VWN5LCFunctional</a> computes energies and densities using the VWN5 local correlation term (from Vosko, Wilk, and Nusair)) <li><a class="el" href="class_sc__VWNLCFunctional.html">sc::VWNLCFunctional</a> (An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived) <li><a class="el" href="class_sc__Wavefunction.html">sc::Wavefunction</a> (A <a class="el" href="class_sc__Wavefunction.html">Wavefunction</a> is a <a class="el" href="class_sc__MolecularEnergy.html">MolecularEnergy</a> that utilizies a <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>) <li><a class="el" href="class_sc__XalphaFunctional.html">sc::XalphaFunctional</a> (Implements the Xalpha exchange functional) </ul> <hr> <address> <small> Generated at Mon Oct 14 14:16:39 2002 for <a href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a> 2.1.2 using the documentation package <a href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a> 1.2.5. </small> </address> </body> </html>
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