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<h1>Class List</h1>Here are the classes, structs, unions and interfaces with brief descriptions:<table>
<tr><td class="indexkey"><a class="el" href="classsc_1_1AccResult.html">sc::AccResult< T ></a></td><td class="indexvalue">This associates a result datum with an accuracy </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1AccResultInfo.html">sc::AccResultInfo</a></td><td class="indexvalue">This is like <a class="el" href="classsc_1_1ResultInfo.html" title="This is a base class for all of Compute's result types.">ResultInfo</a> but the accuracy with which a result was computed as well as the desired accuracy are stored </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ActiveMsgMemoryGrp.html">sc::ActiveMsgMemoryGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ActiveMsgMemoryGrp.html" title="The ActiveMsgMemoryGrp abstract class specializes the MsgMemoryGrp class.">ActiveMsgMemoryGrp</a> abstract class specializes the <a class="el" href="classsc_1_1MsgMemoryGrp.html" title="A MsgMemoryGrp that initializes its data using a messagegrp.">MsgMemoryGrp</a> class </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1AggregateKeyVal.html">sc::AggregateKeyVal</a></td><td class="indexvalue">This takes several <a class="el" href="classsc_1_1KeyVal.html" title="The KeyVal class is designed to simplify the process of allowing a user to specify...">KeyVal</a> objects and makes them look like one <a class="el" href="classsc_1_1KeyVal.html" title="The KeyVal class is designed to simplify the process of allowing a user to specify...">KeyVal</a> object </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1AlgorithmException.html">sc::AlgorithmException</a></td><td class="indexvalue">This exception is thrown whenever a problem with an algorithm is encountered </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1AngularIntegrator.html">sc::AngularIntegrator</a></td><td class="indexvalue">An abstract base class for angular integrators </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ARMCIMemoryGrp.html">sc::ARMCIMemoryGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ARMCIMemoryGrp.html" title="The ARMCIMemoryGrp concrete class provides an implementation of MsgMemoryGrp.">ARMCIMemoryGrp</a> concrete class provides an implementation of <a class="el" href="classsc_1_1MsgMemoryGrp.html" title="A MsgMemoryGrp that initializes its data using a messagegrp.">MsgMemoryGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1AssignedKeyVal.html">sc::AssignedKeyVal</a></td><td class="indexvalue">This class allows keyval associations to be set up by the program, rather than determined by an external file </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1AtomInfo.html">sc::AtomInfo</a></td><td class="indexvalue">Information about atoms </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1auto__vec.html">sc::auto_vec< T ></a></td><td class="indexvalue">The <a class="el" href="classsc_1_1auto__vec.html" title="The auto_vec class functions much like auto_ptr, except it contains references to...">auto_vec</a> class functions much like auto_ptr, except it contains references to arrays </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BatchElectronDensity.html">sc::BatchElectronDensity</a></td><td class="indexvalue">This a more highly optimized than <a class="el" href="classsc_1_1ElectronDensity.html" title="This is a Volume that computer the electron density.">ElectronDensity</a> since everything is precomputed </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BcastState.html">sc::BcastState</a></td><td class="indexvalue">This creates and forwards/retrieves data from either a <a class="el" href="classsc_1_1BcastStateRecv.html" title="BcastStateRecv does the receive part of a broadcast of an object to all nodes.">BcastStateRecv</a> or a <a class="el" href="classsc_1_1BcastStateSend.html" title="BcastStateSend does the send part of a broadcast of an object to all nodes.">BcastStateSend</a> depending on the value of the argument to constructor </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BcastStateInBin.html">sc::BcastStateInBin</a></td><td class="indexvalue">BcastStateBin reads a file in written by <a class="el" href="classsc_1_1StateInBin.html" title="Read objects written with StateOutBin.">StateInBin</a> on node 0 and broadcasts it to all nodes so state can be simultaneously restored on all nodes </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BcastStateRecv.html">sc::BcastStateRecv</a></td><td class="indexvalue"><a class="el" href="classsc_1_1BcastStateRecv.html" title="BcastStateRecv does the receive part of a broadcast of an object to all nodes.">BcastStateRecv</a> does the receive part of a broadcast of an object to all nodes </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BcastStateSend.html">sc::BcastStateSend</a></td><td class="indexvalue"><a class="el" href="classsc_1_1BcastStateSend.html" title="BcastStateSend does the send part of a broadcast of an object to all nodes.">BcastStateSend</a> does the send part of a broadcast of an object to all nodes </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Becke88XFunctional.html">sc::Becke88XFunctional</a></td><td class="indexvalue">Implements Becke's 1988 exchange functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BeckeIntegrationWeight.html">sc::BeckeIntegrationWeight</a></td><td class="indexvalue">Implements Becke's integration weight scheme </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BendSimpleCo.html">sc::BendSimpleCo</a></td><td class="indexvalue">Describes an bend internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1BFGSUpdate.html">sc::BFGSUpdate</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1DFPUpdate.html" title="The DFPUpdate class is used to specify a Davidson, Fletcher, and Powell hessian update...">DFPUpdate</a> class is used to specify a Broyden, Fletcher, Goldfarb, and Shanno hessian update scheme </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1canonical__aaaa.html">sc::canonical_aaaa</a></td><td class="indexvalue">If the shell loop structure has 8 fold symmetry, then this should be used as the template argument to <a class="el" href="classsc_1_1GPetite4.html" title="This class provides a generalized four index petite list.">GPetite4</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1canonical__aabb.html">sc::canonical_aabb</a></td><td class="indexvalue">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 <a class="el" href="classsc_1_1GPetite4.html" title="This class provides a generalized four index petite list.">GPetite4</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1canonical__aabc.html">sc::canonical_aabc</a></td><td class="indexvalue">If the shell loop structure has 2 fold symmetry between the first two indices, then this should be used as the template argument to <a class="el" href="classsc_1_1GPetite4.html" title="This class provides a generalized four index petite list.">GPetite4</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1canonical__abcd.html">sc::canonical_abcd</a></td><td class="indexvalue">If the shell loop structure has no symmetry, then this should be used as the template argument to <a class="el" href="classsc_1_1GPetite4.html" title="This class provides a generalized four index petite list.">GPetite4</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CartesianIter.html">sc::CartesianIter</a></td><td class="indexvalue"><a class="el" href="classsc_1_1CartesianIter.html" title="CartesianIter gives the ordering of the Cartesian functions within a shell for the...">CartesianIter</a> gives the ordering of the Cartesian functions within a shell for the particular integrals specialization </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CartMolecularCoor.html">sc::CartMolecularCoor</a></td><td class="indexvalue">Implements Cartesian coordinates in a way suitable for use in geometry optimizations </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CCAEnv.html">sc::CCAEnv</a></td><td class="indexvalue">Handles embedded CCA frameworks </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CharacterTable.html">sc::CharacterTable</a></td><td class="indexvalue">Workable character table for all of the non-cubic point groups </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1Chemistry__Molecule__impl.html">MPQC::Chemistry_Molecule_impl</a></td><td class="indexvalue">Symbol "MPQC.Chemistry_Molecule" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1Chemistry__MoleculeViewer__impl.html">MPQC::Chemistry_MoleculeViewer_impl</a></td><td class="indexvalue">Symbol "MPQC.Chemistry_MoleculeViewer" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1Chemistry__QC__Model__impl.html">MPQC::Chemistry_QC_Model_impl</a></td><td class="indexvalue">Symbol "MPQC.Chemistry_QC_Model" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html">MPQC::Chemistry_QC_ModelFactory_impl</a></td><td class="indexvalue">Symbol "MPQC.Chemistry_QC_ModelFactory" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1ChemistryOpt__CoordinateModel__impl.html">MPQC::ChemistryOpt_CoordinateModel_impl</a></td><td class="indexvalue">Symbol "MPQC.ChemistryOpt_CoordinateModel" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ClassDesc.html">sc::ClassDesc</a></td><td class="indexvalue">This class is used to contain information about classes </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CLHF.html">sc::CLHF</a></td><td class="indexvalue"><a class="el" href="classsc_1_1CLHF.html" title="CLHF is a Hartree-Fock specialization of CLSCF.">CLHF</a> is a Hartree-Fock specialization of <a class="el" href="classsc_1_1CLSCF.html" title="The CLSCF class is a base for classes implementing a self-consistent procedure for...">CLSCF</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CLKS.html">sc::CLKS</a></td><td class="indexvalue">This provides a Kohn-Sham implementation for closed-shell systems </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CLSCF.html">sc::CLSCF</a></td><td class="indexvalue">Base for classes implementing a self-consistent procedure for closed-shell molecules </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1ComponentClassDescription__impl.html">MPQC::ComponentClassDescription_impl</a></td><td class="indexvalue">Symbol "MPQC.ComponentClassDescription" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1ComponentFactory__impl.html">MPQC::ComponentFactory_impl</a></td><td class="indexvalue">Symbol "MPQC.ComponentFactory" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Compute.html">sc::Compute</a></td><td class="indexvalue">Means of keeping results up to date </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ConnollyShape.html">sc::ConnollyShape</a></td><td class="indexvalue"><a class="el" href="classsc_1_1DiscreteConnollyShape.html" title="DiscreteConnollyShape and ConnollyShape should produce the same result.">DiscreteConnollyShape</a> and <a class="el" href="classsc_1_1ConnollyShape.html" title="DiscreteConnollyShape and ConnollyShape should produce the same result.">ConnollyShape</a> should produce the same result </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Convergence.html">sc::Convergence</a></td><td class="indexvalue">Used by the optimizer to determine when an optimization is converged </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1CorrelationTable.html">sc::CorrelationTable</a></td><td class="indexvalue">Correlation table between two point groups </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Debugger.html">sc::Debugger</a></td><td class="indexvalue">Describes what should be done when a catastrophic error causes unexpected program termination </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DenFunctional.html">sc::DenFunctional</a></td><td class="indexvalue">An abstract base class for density functionals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DenIntegrator.html">sc::DenIntegrator</a></td><td class="indexvalue">An abstract base class for integrating the electron density </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DerivCenters.html">sc::DerivCenters</a></td><td class="indexvalue"><a class="el" href="classsc_1_1DerivCenters.html" title="DerivCenters keeps track the centers that derivatives are taken with respect to.">DerivCenters</a> keeps track the centers that derivatives are taken with respect to </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td class="indexvalue">Classes which need runtime information about themselves and their relationship to other classes can virtually inherit from <a class="el" href="classsc_1_1DescribedClass.html" title="Classes which need runtime information about themselves and their relationship to...">DescribedClass</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DFPUpdate.html">sc::DFPUpdate</a></td><td class="indexvalue">Used to specify a Davidson, Fletcher, and Powell hessian update scheme </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DiagMolecularHessian.html">sc::DiagMolecularHessian</a></td><td class="indexvalue"><a class="el" href="classsc_1_1DiagMolecularHessian.html" title="DiagMolecularHessian is an implementation of MolecularHessian that returns a hessian...">DiagMolecularHessian</a> is an implementation of <a class="el" href="classsc_1_1MolecularHessian.html" title="MolecularHessian is an abstract class that computes a molecule's second derivatives...">MolecularHessian</a> that returns a hessian that is a diagonal matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DiagSCMatrix.html">sc::DiagSCMatrix</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SymmSCMatrix.html" title="The SymmSCMatrix class is the abstract base class for symmetric double valued matrices...">SymmSCMatrix</a> class is the abstract base class for diagonal double valued matrices </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DIIS.html">sc::DIIS</a></td><td class="indexvalue"><a class="el" href="classsc_1_1DIIS.html" title="The DIIS class provides DIIS extrapolation.">DIIS</a> extrapolation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DiscreteConnollyShape.html">sc::DiscreteConnollyShape</a></td><td class="indexvalue"><a class="el" href="classsc_1_1DiscreteConnollyShape.html" title="DiscreteConnollyShape and ConnollyShape should produce the same result.">DiscreteConnollyShape</a> and <a class="el" href="classsc_1_1ConnollyShape.html" title="DiscreteConnollyShape and ConnollyShape should produce the same result.">ConnollyShape</a> should produce the same result </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DistSCMatrixKit.html">sc::DistSCMatrixKit</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1DistSCMatrixKit.html" title="The DistSCMatrixKit produces matrices that work in a many processor environment.">DistSCMatrixKit</a> produces matrices that work in a many processor environment </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DistShellPair.html">sc::DistShellPair</a></td><td class="indexvalue">Distributes shell pairs either statically or dynamically </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1EFCOpt.html">sc::EFCOpt</a></td><td class="indexvalue">Implements eigenvector following as described by Baker in J </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ElectronDensity.html">sc::ElectronDensity</a></td><td class="indexvalue">This is a <a class="el" href="classsc_1_1Volume.html" title="A Volume is a Function of three variables.">Volume</a> that computer the electron density </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1EriCints.html">sc::EriCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1EriCints.html" title="EriCints is a specialization of Int2eCints that computes electron repulsion integrals...">EriCints</a> is a specialization of <a class="el" href="classsc_1_1Int2eCints.html" title="Int2eCints is an interface to various specializations of two-electron integral evaluators...">Int2eCints</a> that computes electron repulsion integrals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1EulerMaclaurinRadialIntegrator.html">sc::EulerMaclaurinRadialIntegrator</a></td><td class="indexvalue">An implementation of a radial integrator using the Euler-Maclaurin weights and grid points </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ExEnv.html">sc::ExEnv</a></td><td class="indexvalue">Used to find out about how the program is being run </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1FeatureNotImplemented.html">sc::FeatureNotImplemented</a></td><td class="indexvalue">This is thrown when an attempt is made to use a feature that is not yet implemented </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1FileGrp.html">sc::FileGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1FileGrp.html" title="The FileGrp abstract class provides a way of accessing distributed file in a parallel...">FileGrp</a> abstract class provides a way of accessing distributed file in a parallel machine </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1FileOperationFailed.html">sc::FileOperationFailed</a></td><td class="indexvalue">This is thrown when an operation on a file fails </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1FinDispMolecularHessian.html">sc::FinDispMolecularHessian</a></td><td class="indexvalue">Computes the molecular hessian by finite displacements of gradients </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ForceLink.html">sc::ForceLink< T, A ></a></td><td class="indexvalue">This, together with <a class="el" href="classsc_1_1ForceLinkBase.html" title="This, together with ForceLink, is used to force code for particular classes to be...">ForceLinkBase</a>, is used to force code for particular classes to be linked into executables </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ForceLinkBase.html">sc::ForceLinkBase< A ></a></td><td class="indexvalue">This, together with <a class="el" href="classsc_1_1ForceLink.html" title="This, together with ForceLinkBase, is used to force code for particular classes to...">ForceLink</a>, is used to force code for particular classes to be linked into executables </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td class="indexvalue">Abstract base class that, given a set of coordinates, will compute a value and possibly a gradient and hessian at that point </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1G96XFunctional.html">sc::G96XFunctional</a></td><td class="indexvalue">Implements the Gill 1996 (G96) exchange functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1GaussianBasis__Atomic__impl.html">MPQC::GaussianBasis_Atomic_impl</a></td><td class="indexvalue">Symbol "MPQC.GaussianBasis_Atomic" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1GaussianBasis__Molecular__impl.html">MPQC::GaussianBasis_Molecular_impl</a></td><td class="indexvalue">Symbol "MPQC.GaussianBasis_Molecular" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1GaussianBasis__Shell__impl.html">MPQC::GaussianBasis_Shell_impl</a></td><td class="indexvalue">Symbol "MPQC.GaussianBasis_Shell" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GaussianBasisSet.html">sc::GaussianBasisSet</a></td><td class="indexvalue">Used describe a basis set composed of atomic gaussian orbitals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GaussianShell.html">sc::GaussianShell</a></td><td class="indexvalue">A Gaussian orbital shell </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GaussLegendreAngularIntegrator.html">sc::GaussLegendreAngularIntegrator</a></td><td class="indexvalue">An implementation of an angular integrator using the Gauss-Legendre weights and grid points </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GenPetite4.html">sc::GenPetite4</a></td><td class="indexvalue">This class is an abstract base to a generalized four index petite list </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GPetite4.html">sc::GPetite4< C4 ></a></td><td class="indexvalue">This class provides a generalized four index petite list </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GRTCints.html">sc::GRTCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1GRTCints.html" title="GRTCints is a specialization of Int2eCints that computes two-electron integrals specific...">GRTCints</a> is a specialization of <a class="el" href="classsc_1_1Int2eCints.html" title="Int2eCints is an interface to various specializations of two-electron integral evaluators...">Int2eCints</a> that computes two-electron integrals specific to linear R12 methods </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GuessMolecularHessian.html">sc::GuessMolecularHessian</a></td><td class="indexvalue"><a class="el" href="classsc_1_1GuessMolecularHessian.html" title="GuessMolecularHessian is an implementation of MolecularHessian that estimates the...">GuessMolecularHessian</a> is an implementation of <a class="el" href="classsc_1_1MolecularHessian.html" title="MolecularHessian is an abstract class that computes a molecule's second derivatives...">MolecularHessian</a> that estimates the hessian based on the internal coordinates </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1HessianUpdate.html">sc::HessianUpdate</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1HessianUpdate.html" title="The HessianUpdate abstract class is used to specify a hessian update scheme.">HessianUpdate</a> abstract class is used to specify a hessian update scheme </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1HSOSHF.html">sc::HSOSHF</a></td><td class="indexvalue"><a class="el" href="classsc_1_1HSOSHF.html" title="HSOSHF is a Hartree-Fock specialization of HSOSSCF.">HSOSHF</a> is a Hartree-Fock specialization of <a class="el" href="classsc_1_1HSOSSCF.html" title="The HSOSSCF class is a base for classes implementing a self-consistent procedure...">HSOSSCF</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1HSOSKS.html">sc::HSOSKS</a></td><td class="indexvalue">This provides a Kohn-Sham implementation for restricted-orbital high-spin open-shell systems </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1HSOSSCF.html">sc::HSOSSCF</a></td><td class="indexvalue">Base for classes implementing a self-consistent procedure for high-spin open-shell molecules </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Identifier.html">sc::Identifier</a></td><td class="indexvalue">Identifier's are used to distinguish and order objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Identity.html">sc::Identity</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Identity.html" title="Identity gives objects a unique identity and ordering relationship relative to all...">Identity</a> gives objects a unique identity and ordering relationship relative to all other objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IdentityTransform.html">sc::IdentityTransform</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1IdentityTransform.html" title="The IdentityTransform is a special case of NonlinearTransform were no transformation...">IdentityTransform</a> is a special case of <a class="el" href="classsc_1_1NonlinearTransform.html" title="The NonlinearTransform class transforms between two nonlinear coordinate systems...">NonlinearTransform</a> were no transformation takes place </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1InputError.html">sc::InputError</a></td><td class="indexvalue">This is thrown when invalid input is provided </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Int1eCCA.html">sc::Int1eCCA</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Int1eCCA.html" title="Int1eCCA adapts CCA integrals components for use within SC.">Int1eCCA</a> adapts CCA integrals components for use within SC </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Int1eCints.html">sc::Int1eCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Int1eCints.html" title="Int1eCints is used by OneBodyIntCints and OneBodyDerivIntCints to implement IntegralCints...">Int1eCints</a> is used by <a class="el" href="classsc_1_1OneBodyIntCints.html" title="This implements most one body integrals in the Cints library.">OneBodyIntCints</a> and OneBodyDerivIntCints to implement <a class="el" href="classsc_1_1IntegralCints.html" title="IntegralCints computes integrals between Gaussian basis functions.">IntegralCints</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Int1eV3.html">sc::Int1eV3</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Int1eV3.html" title="Int1eV3 is a class wrapper for the one body part of the C language IntV3 library...">Int1eV3</a> is a class wrapper for the one body part of the C language IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Int2eCCA.html">sc::Int2eCCA</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Int2eCCA.html" title="Int2eCCA adapts CCA integrals components for use within SC.">Int2eCCA</a> adapts CCA integrals components for use within SC </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Int2eCints.html">sc::Int2eCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Int2eCints.html" title="Int2eCints is an interface to various specializations of two-electron integral evaluators...">Int2eCints</a> is an interface to various specializations of two-electron integral evaluators implemented in Cints </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Int2eV3.html">sc::Int2eV3</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Int2eV3.html" title="Int2eV3 is a class wrapper for the two body part of the C language IntV3 library...">Int2eV3</a> is a class wrapper for the two body part of the C language IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IntCoor.html">sc::IntCoor</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1IntCoor.html" title="The IntCoor abstract class describes an internal coordinate of a molecule.">IntCoor</a> abstract class describes an internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IntCoorGen.html">sc::IntCoorGen</a></td><td class="indexvalue"><a class="el" href="classsc_1_1IntCoorGen.html" title="IntCoorGen generates a set of simple internal coordinates for a molecule.">IntCoorGen</a> generates a set of simple internal coordinates for a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Integral.html">sc::Integral</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1Integral.html" title="The Integral abstract class acts as a factory to provide objects that compute one...">Integral</a> abstract class acts as a factory to provide objects that compute one and two electron integrals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IntegralCCA.html">sc::IntegralCCA</a></td><td class="indexvalue"><a class="el" href="classsc_1_1IntegralCCA.html" title="IntegralCCA provides an SC client for CCA IntegralEvaluator components.">IntegralCCA</a> provides an SC client for CCA IntegralEvaluator components </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IntegralCints.html">sc::IntegralCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1IntegralCints.html" title="IntegralCints computes integrals between Gaussian basis functions.">IntegralCints</a> computes integrals between Gaussian basis functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1IntegralEvaluator2__impl.html">MPQC::IntegralEvaluator2_impl</a></td><td class="indexvalue">Symbol "MPQC.IntegralEvaluator2" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1IntegralEvaluator3__impl.html">MPQC::IntegralEvaluator3_impl</a></td><td class="indexvalue">Symbol "MPQC.IntegralEvaluator3" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1IntegralEvaluator4__impl.html">MPQC::IntegralEvaluator4_impl</a></td><td class="indexvalue">Symbol "MPQC.IntegralEvaluator4" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1IntegralEvaluatorFactory__impl.html">MPQC::IntegralEvaluatorFactory_impl</a></td><td class="indexvalue">Symbol "MPQC.IntegralEvaluatorFactory" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IntegralV3.html">sc::IntegralV3</a></td><td class="indexvalue"><a class="el" href="classsc_1_1IntegralV3.html" title="IntegralV3 computes integrals between Gaussian basis functions.">IntegralV3</a> computes integrals between Gaussian basis functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IntegrationWeight.html">sc::IntegrationWeight</a></td><td class="indexvalue">An abstract base class for computing grid weights </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1intMessageGrp.html">sc::intMessageGrp</a></td><td class="indexvalue">Uses integer message types to send and receive messages </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1IntMolecularCoor.html" title="The IntMolecularCoor abstract class describes a molecule's coordinates in terms...">IntMolecularCoor</a> abstract class describes a molecule's coordinates in terms of internal coordinates </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1IrreducibleRepresentation.html">sc::IrreducibleRepresentation</a></td><td class="indexvalue">Information associated with a particular irreducible representation of a point group </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ISphericalTransform.html">sc::ISphericalTransform</a></td><td class="indexvalue">This describes a solid harmonic to Cartesian transform </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1KeyVal.html">sc::KeyVal</a></td><td class="indexvalue">Designed to simplify the process of allowing a user to specify keyword/value associations to a C++ program </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LebedevLaikovIntegrator.html">sc::LebedevLaikovIntegrator</a></td><td class="indexvalue">An implementation of a Lebedev angular integrator </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LimitExceeded.html">sc::LimitExceeded< T ></a></td><td class="indexvalue">This is thrown when a limit is exceeded </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LineOpt.html">sc::LineOpt</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1LineOpt.html" title="The LineOpt abstract class is used to perform one dimensional optimizations.">LineOpt</a> abstract class is used to perform one dimensional optimizations </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LinIPSimpleCo.html">sc::LinIPSimpleCo</a></td><td class="indexvalue">Describes an in-plane component of a linear bend internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LinOPSimpleCo.html">sc::LinOPSimpleCo</a></td><td class="indexvalue">Describes an out-of-plane component of a linear bend internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LocalSCMatrixKit.html">sc::LocalSCMatrixKit</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1LocalSCMatrixKit.html" title="The LocalSCMatrixKit produces matrices that work in a single processor environment...">LocalSCMatrixKit</a> produces matrices that work in a single processor environment </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LSDACFunctional.html">sc::LSDACFunctional</a></td><td class="indexvalue">An abstract base class for local correlation functionals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1LYPCFunctional.html">sc::LYPCFunctional</a></td><td class="indexvalue">Implements the Lee, Yang, and Parr functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MaxIterExceeded.html">sc::MaxIterExceeded</a></td><td class="indexvalue">This is thrown when an iterative algorithm attempts to use more iterations than allowed </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MBPT2.html">sc::MBPT2</a></td><td class="indexvalue">Implements several second-order perturbation theory methods </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MBPT2__R12.html">sc::MBPT2_R12</a></td><td class="indexvalue">Implements several linear R12 second-order perturbation theory methods </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MCSearch.html">sc::MCSearch</a></td><td class="indexvalue">This performs line searches with cubic steps </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MemAllocFailed.html">sc::MemAllocFailed</a></td><td class="indexvalue">This is thrown when a memory allocation fails </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MemoryGrp.html">sc::MemoryGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MemoryGrp.html" title="The MemoryGrp abstract class provides a way of accessing distributed memory in a...">MemoryGrp</a> abstract class provides a way of accessing distributed memory in a parallel machine </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MemoryGrpBuf.html">sc::MemoryGrpBuf< data_t ></a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MemoryGrpBuf.html" title="The MemoryGrpBuf class provides access to pieces of the global shared memory that...">MemoryGrpBuf</a> class provides access to pieces of the global shared memory that have been obtained with <a class="el" href="classsc_1_1MemoryGrp.html" title="The MemoryGrp abstract class provides a way of accessing distributed memory in a...">MemoryGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MessageGrp.html">sc::MessageGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> abstract class provides a mechanism for moving data and objects between nodes in a parallel machine </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MOIndexSpace.html">sc::MOIndexSpace</a></td><td class="indexvalue">Class <a class="el" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a> describes a range of molecular orbitals or similar objects that are linear combinations of basis functions (e.g </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MOIntsTransformFactory.html">sc::MOIntsTransformFactory</a></td><td class="indexvalue"><a class="el" href="classsc_1_1MOIntsTransformFactory.html" title="MOIntsTransformFactory is a factory that produces MOIntsTransform objects.">MOIntsTransformFactory</a> is a factory that produces MOIntsTransform objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MolecularCoor.html" title="The MolecularCoor abstract class describes the coordinate system used to describe...">MolecularCoor</a> abstract class describes the coordinate system used to describe a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MolecularEnergy.html" title="The MolecularEnergy abstract class inherits from the Function class.">MolecularEnergy</a> abstract class inherits from the <a class="el" href="classsc_1_1Function.html" title="The Function class is an abstract base class that, given a set of coordinates, will...">Function</a> class </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MolecularFormula.html">sc::MolecularFormula</a></td><td class="indexvalue">Used to calculate the molecular formula of a <a class="el" href="classsc_1_1Molecule.html" title="The Molecule class contains information about molecules.">Molecule</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MolecularFrequencies.html">sc::MolecularFrequencies</a></td><td class="indexvalue">Used to compute the molecular frequencies and thermodynamic information </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MolecularHessian.html">sc::MolecularHessian</a></td><td class="indexvalue"><a class="el" href="classsc_1_1MolecularHessian.html" title="MolecularHessian is an abstract class that computes a molecule's second derivatives...">MolecularHessian</a> is an abstract class that computes a molecule's second derivatives of the energy with respect to changes in the nuclear coordinates </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Molecule.html">sc::Molecule</a></td><td class="indexvalue">Information about molecules </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MOPairIter.html">sc::MOPairIter</a></td><td class="indexvalue"><a class="el" href="classsc_1_1MOPairIter.html" title="MOPairIter gives the ordering of orbital pairs.">MOPairIter</a> gives the ordering of orbital pairs </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MOPairIterFactory.html">sc::MOPairIterFactory</a></td><td class="indexvalue">This class produces <a class="el" href="classsc_1_1MOPairIter.html" title="MOPairIter gives the ordering of orbital pairs.">MOPairIter</a> objects </td></tr>
<tr><td class="indexkey"><a class="el" href="structsc_1_1TwoBodyMOIntsTransform_1_1MOSpaces.html">sc::TwoBodyMOIntsTransform::MOSpaces</a></td><td class="indexvalue">Predefined enumerated type for the MO spaces </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MP2R12Energy.html">sc::MP2R12Energy</a></td><td class="indexvalue">Class <a class="el" href="classsc_1_1MP2R12Energy.html" title="Class MP2R12Energy is the object that computes and maintains MP2-R12 energies.">MP2R12Energy</a> is the object that computes and maintains MP2-R12 energies </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MPIMessageGrp.html">sc::MPIMessageGrp</a></td><td class="indexvalue">Concrete implementation of <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> that uses the MPI 1 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1mPW91XFunctional.html">sc::mPW91XFunctional</a></td><td class="indexvalue">Implements a modified 1991 Perdew-Wang exchange functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MsgMemoryGrp.html">sc::MsgMemoryGrp</a></td><td class="indexvalue">A <a class="el" href="classsc_1_1MsgMemoryGrp.html" title="A MsgMemoryGrp that initializes its data using a messagegrp.">MsgMemoryGrp</a> that initializes its data using a messagegrp </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MsgStateBufRecv.html">sc::MsgStateBufRecv</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MsgStateBufRecv.html" title="The MsgStateBufRecv is an abstract base class that buffers objects sent through a...">MsgStateBufRecv</a> is an abstract base class that buffers objects sent through a <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MsgStateRecv.html">sc::MsgStateRecv</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MsgStateRecv.html" title="The MsgStateRecv is an abstract base class that receives objects from nodes in a...">MsgStateRecv</a> is an abstract base class that receives objects from nodes in a <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MsgStateSend.html">sc::MsgStateSend</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1MsgStateSend.html" title="The MsgStateSend is an abstract base class that sends objects to nodes in a MessageGrp...">MsgStateSend</a> is an abstract base class that sends objects to nodes in a <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1MTMPIMemoryGrp.html">sc::MTMPIMemoryGrp</a></td><td class="indexvalue">This <a class="el" href="classsc_1_1MemoryGrp.html" title="The MemoryGrp abstract class provides a way of accessing distributed memory in a...">MemoryGrp</a> class requires a MT-safe MPI implementation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1NCAccResult.html">sc::NCAccResult< T ></a></td><td class="indexvalue">This associates a result non-class datum with an accuracy </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1NCResult.html">sc::NCResult< T ></a></td><td class="indexvalue">This is similar to <a class="el" href="classsc_1_1Result.html" title="Result are members of Compute specializations that keep track of whether or not a...">Result</a>, but can be used with non-class types </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1NElFunctional.html">sc::NElFunctional</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1NElFunctional.html" title="The NElFunctional computes the number of electrons.">NElFunctional</a> computes the number of electrons </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1NonlinearTransform.html">sc::NonlinearTransform</a></td><td class="indexvalue">Transforms between two nonlinear coordinate systems </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyDerivInt.html">sc::OneBodyDerivInt</a></td><td class="indexvalue"><a class="el" href="classsc_1_1OneBodyDerivInt.html" title="OneBodyDerivInt is an abstract base class for objects that compute one body derivative...">OneBodyDerivInt</a> is an abstract base class for objects that compute one body derivative integrals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyDerivIntCCA.html">sc::OneBodyDerivIntCCA</a></td><td class="indexvalue">This implements one body derivative integrals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyDerivIntV3.html">sc::OneBodyDerivIntV3</a></td><td class="indexvalue">This implements one body derivative integrals in the IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyInt.html">sc::OneBodyInt</a></td><td class="indexvalue"><a class="el" href="classsc_1_1OneBodyInt.html" title="OneBodyInt is an abstract base class for objects that compute integrals between two...">OneBodyInt</a> is an abstract base class for objects that compute integrals between two basis functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyIntCCA.html">sc::OneBodyIntCCA</a></td><td class="indexvalue">This implements one body integrals through the CCA interface </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyIntCints.html">sc::OneBodyIntCints</a></td><td class="indexvalue">This implements most one body integrals in the Cints library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyIntV3.html">sc::OneBodyIntV3</a></td><td class="indexvalue">This implements most one body integrals in the IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyOneCenterDerivInt.html">sc::OneBodyOneCenterDerivInt</a></td><td class="indexvalue"><a class="el" href="classsc_1_1OneBodyOneCenterDerivInt.html" title="OneBodyOneCenterDerivInt is an abstract base class for objects that compute one body...">OneBodyOneCenterDerivInt</a> is an abstract base class for objects that compute one body derivative integrals on a single center </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html">sc::OneBodyOneCenterInt</a></td><td class="indexvalue"><a class="el" href="classsc_1_1OneBodyOneCenterInt.html" title="OneBodyOneCenterInt is an abstract base class for objects that compute integrals...">OneBodyOneCenterInt</a> is an abstract base class for objects that compute integrals between two basis functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td class="indexvalue">A <a class="el" href="classsc_1_1OneBodyWavefunction.html" title="A OneBodyWavefunction is a MolecularEnergy that solves an effective one-body problem...">OneBodyWavefunction</a> is a <a class="el" href="classsc_1_1MolecularEnergy.html" title="The MolecularEnergy abstract class inherits from the Function class.">MolecularEnergy</a> that solves an effective one-body problem </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Optimize.html">sc::Optimize</a></td><td class="indexvalue">Abstract base class for classes that find the extreme points of Function's </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1OverlapOrthog.html">sc::OverlapOrthog</a></td><td class="indexvalue">This class computes the orthogonalizing transform for a basis set </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1P86CFunctional.html">sc::P86CFunctional</a></td><td class="indexvalue">Implements the Perdew 1986 (P86) correlation functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ParentClass.html">sc::ParentClass</a></td><td class="indexvalue">Gives one parent class of a class </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ParentClasses.html">sc::ParentClasses</a></td><td class="indexvalue">Gives a list of parent classes of a class </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ParsedKeyVal.html">sc::ParsedKeyVal</a></td><td class="indexvalue">Converts textual information into keyword/value assocations </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PBECFunctional.html">sc::PBECFunctional</a></td><td class="indexvalue">Implements the Perdew-Burke-Ernzerhof (PBE) correlation functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PBEXFunctional.html">sc::PBEXFunctional</a></td><td class="indexvalue">Implements the Perdew-Burke-Ernzerhof (PBE) exchange functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1Physics__Units__impl.html">MPQC::Physics_Units_impl</a></td><td class="indexvalue">Symbol "MPQC.Physics_Units" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PointGroup.html">sc::PointGroup</a></td><td class="indexvalue">Really a place holder for a <a class="el" href="classsc_1_1CharacterTable.html" title="The CharacterTable class provides a workable character table for all of the non-cubic...">CharacterTable</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="structsc_1_1PointInputData.html">sc::PointInputData</a></td><td class="indexvalue">Contains data needed at each point by a <a class="el" href="classsc_1_1DenFunctional.html" title="An abstract base class for density functionals.">DenFunctional</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="structsc_1_1PointOutputData.html">sc::PointOutputData</a></td><td class="indexvalue">Contains data generated at each point by a <a class="el" href="classsc_1_1DenFunctional.html" title="An abstract base class for density functionals.">DenFunctional</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PowellUpdate.html">sc::PowellUpdate</a></td><td class="indexvalue">Used to specify a Powell hessian update </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PrefixKeyVal.html">sc::PrefixKeyVal</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PrefixKeyVal.html" title="PrefixKeyVal is a KeyVal that searches a different KeyVal using modified keys.">PrefixKeyVal</a> is a <a class="el" href="classsc_1_1KeyVal.html" title="The KeyVal class is designed to simplify the process of allowing a user to specify...">KeyVal</a> that searches a different <a class="el" href="classsc_1_1KeyVal.html" title="The KeyVal class is designed to simplify the process of allowing a user to specify...">KeyVal</a> using modified keys </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PrimPairsCints.html">sc::PrimPairsCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PrimPairsCints.html" title="PrimPairsCints contains primitive pair data.">PrimPairsCints</a> contains primitive pair data </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ProcFileGrp.html">sc::ProcFileGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ProcFileGrp.html" title="The ProcFileGrp concrete class provides an implementation of FileGrp for a single...">ProcFileGrp</a> concrete class provides an implementation of <a class="el" href="classsc_1_1FileGrp.html" title="The FileGrp abstract class provides a way of accessing distributed file in a parallel...">FileGrp</a> for a single processor </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ProcMemoryGrp.html">sc::ProcMemoryGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ProcMemoryGrp.html" title="The ProcMemoryGrp concrete class provides an implementation of MemoryGrp for a single...">ProcMemoryGrp</a> concrete class provides an implementation of <a class="el" href="classsc_1_1MemoryGrp.html" title="The MemoryGrp abstract class provides a way of accessing distributed memory in a...">MemoryGrp</a> for a single processor </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ProcMessageGrp.html">sc::ProcMessageGrp</a></td><td class="indexvalue"><a class="el" href="classsc_1_1ProcMessageGrp.html" title="ProcMessageGrp provides a concrete specialization of MessageGrp that supports only...">ProcMessageGrp</a> provides a concrete specialization of <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> that supports only one node </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ProcThreadGrp.html">sc::ProcThreadGrp</a></td><td class="indexvalue">Privides a concrete thread group appropriate for an environment where there is only one thread </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ProgrammingError.html">sc::ProgrammingError</a></td><td class="indexvalue">This is thrown when a situations arises that should be impossible </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiCCSD.html">sc::PsiCCSD</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiCCSD.html" title="PsiCCSD is a concrete implementation of Psi CCSD wave function.">PsiCCSD</a> is a concrete implementation of Psi CCSD wave function </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiCCSD__T.html">sc::PsiCCSD_T</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiCCSD__T.html" title="PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function.">PsiCCSD_T</a> is a concrete implementation of Psi CCSD(T) wave function </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiCLHF.html">sc::PsiCLHF</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiCLHF.html" title="PsiCLHF is a concrete implementation of Psi RHF wave function.">PsiCLHF</a> is a concrete implementation of Psi RHF wave function </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiExEnv.html">sc::PsiExEnv</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiExEnv.html" title="PsiExEnv specifies a Psi calculation.">PsiExEnv</a> specifies a Psi calculation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiFile11.html">sc::PsiFile11</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiFile11.html" title="PsiFile11 is a Psi gradient file.">PsiFile11</a> is a Psi gradient file </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiHSOSHF.html">sc::PsiHSOSHF</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiHSOSHF.html" title="PsiHSOSHF is a concrete implementation of Psi ROHF wave function.">PsiHSOSHF</a> is a concrete implementation of Psi ROHF wave function </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiInput.html">sc::PsiInput</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiInput.html" title="PsiInput is a Psi input file.">PsiInput</a> is a Psi input file </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiSCF.html">sc::PsiSCF</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiSCF.html" title="PsiSCF is an abstract base for all Psi SCF wave functions.">PsiSCF</a> is an abstract base for all Psi <a class="el" href="classsc_1_1SCF.html" title="The SCF class is the base for all classes that use a self-consistent field procedure...">SCF</a> wave functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiUHF.html">sc::PsiUHF</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiUHF.html" title="PsiUHF is a concrete implementation of Psi UHF wave function.">PsiUHF</a> is a concrete implementation of Psi <a class="el" href="classsc_1_1UHF.html" title="This provides an unrestricted Hartree-Fock implementation.">UHF</a> wave function </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PsiWavefunction.html">sc::PsiWavefunction</a></td><td class="indexvalue"><a class="el" href="classsc_1_1PsiWavefunction.html" title="PsiWavefunction is an abstract base for all Psi wave functions.">PsiWavefunction</a> is an abstract base for all Psi wave functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PthreadThreadGrp.html">sc::PthreadThreadGrp</a></td><td class="indexvalue">Privides a concrete thread group appropriate for an environment where pthreads is available </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PumaThreadGrp.html">sc::PumaThreadGrp</a></td><td class="indexvalue">Privides a concrete thread group appropriate for the intel teraflops machine </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PW86XFunctional.html">sc::PW86XFunctional</a></td><td class="indexvalue">Implements the Perdew-Wang 1986 (PW86) Exchange functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PW91CFunctional.html">sc::PW91CFunctional</a></td><td class="indexvalue">The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PW91XFunctional.html">sc::PW91XFunctional</a></td><td class="indexvalue">The Perdew-Wang 1991 exchange functional computes energies and densities using the designated local correlation functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PW92LCFunctional.html">sc::PW92LCFunctional</a></td><td class="indexvalue">Implements the PW92 local (LSDA) correlation term </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1PZ81LCFunctional.html">sc::PZ81LCFunctional</a></td><td class="indexvalue">Implements the PZ81 local (LSDA) correlation functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1QNewtonOpt.html">sc::QNewtonOpt</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1QNewtonOpt.html" title="The QNewtonOpt implements a quasi-Newton optimization scheme.">QNewtonOpt</a> implements a quasi-Newton optimization scheme </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1R12Amplitudes.html">sc::R12Amplitudes</a></td><td class="indexvalue"><a class="el" href="classsc_1_1R12Amplitudes.html" title="R12Amplitudes gives the amplitudes of some linear-R12-ansatz-related terms in wave...">R12Amplitudes</a> gives the amplitudes of some linear-R12-ansatz-related terms in wave function </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1R12IntEval.html">sc::R12IntEval</a></td><td class="indexvalue"><a class="el" href="classsc_1_1R12IntEval.html" title="R12IntEval is the top-level class which computes intermediates occuring in linear...">R12IntEval</a> is the top-level class which computes intermediates occuring in linear R12 theories </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1R12IntEvalInfo.html">sc::R12IntEvalInfo</a></td><td class="indexvalue">Class <a class="el" href="classsc_1_1R12IntEvalInfo.html" title="Class R12IntEvalInfo contains information necessary for R12 intermediate evaluators...">R12IntEvalInfo</a> contains information necessary for R12 intermediate evaluators </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1R12IntsAcc.html">sc::R12IntsAcc</a></td><td class="indexvalue"><a class="el" href="classsc_1_1R12IntsAcc.html" title="R12IntsAcc accumulates transformed (MO) integrals stored as (ijxy) where i, j, x...">R12IntsAcc</a> accumulates transformed (MO) integrals stored as (ijxy) where i, j, x, and, y lie in spaces I, J, X, and Y, respectively </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RadialAngularIntegrator.html">sc::RadialAngularIntegrator</a></td><td class="indexvalue">An implementation of an integrator using any combination of a <a class="el" href="classsc_1_1RadialIntegrator.html" title="An abstract base class for radial integrators.">RadialIntegrator</a> and an <a class="el" href="classsc_1_1AngularIntegrator.html" title="An abstract base class for angular integrators.">AngularIntegrator</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RadialIntegrator.html">sc::RadialIntegrator</a></td><td class="indexvalue">An abstract base class for radial integrators </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RDMAMemoryGrp.html">sc::RDMAMemoryGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1RDMAMemoryGrp.html" title="The RDMAMemoryGrp abstract class specializes the MsgMemoryGrp class.">RDMAMemoryGrp</a> abstract class specializes the <a class="el" href="classsc_1_1MsgMemoryGrp.html" title="A MsgMemoryGrp that initializes its data using a messagegrp.">MsgMemoryGrp</a> class </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ReadMolecularHessian.html">sc::ReadMolecularHessian</a></td><td class="indexvalue"><a class="el" href="classsc_1_1ReadMolecularHessian.html" title="ReadMolecularHessian is an implementation of MolecularHessian that reads the hessian...">ReadMolecularHessian</a> is an implementation of <a class="el" href="classsc_1_1MolecularHessian.html" title="MolecularHessian is an abstract class that computes a molecule's second derivatives...">MolecularHessian</a> that reads the hessian from a file </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RedundantCartesianIter.html">sc::RedundantCartesianIter</a></td><td class="indexvalue"><a class="el" href="classsc_1_1RedundantCartesianIter.html" title="RedundantCartesianIter objects loop through all possible combinations of a given...">RedundantCartesianIter</a> objects loop through all possible combinations of a given number of axes </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RedundantCartesianSubIter.html">sc::RedundantCartesianSubIter</a></td><td class="indexvalue">Like <a class="el" href="classsc_1_1RedundantCartesianIter.html" title="RedundantCartesianIter objects loop through all possible combinations of a given...">RedundantCartesianIter</a>, except a, b, and c are fixed to a given value </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RedundMolecularCoor.html">sc::RedundMolecularCoor</a></td><td class="indexvalue">Redundant set of simple internal coordinates </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Ref.html">sc::Ref< T ></a></td><td class="indexvalue">A template class that maintains references counts </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RefBase.html">sc::RefBase</a></td><td class="indexvalue">Provides a few utility routines common to all <a class="el" href="classsc_1_1Ref.html" title="A template class that maintains references counts.">Ref</a> template instantiations </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td class="indexvalue">The base class for all reference counted objects </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RefDiagSCMatrix.html">sc::RefDiagSCMatrix</a></td><td class="indexvalue">Smart pointer to an <a class="el" href="classsc_1_1DiagSCMatrix.html" title="The SymmSCMatrix class is the abstract base class for diagonal double valued matrices...">DiagSCMatrix</a> specialization </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RefSCDimension.html">sc::RefSCDimension</a></td><td class="indexvalue">Smart pointer to an <a class="el" href="classsc_1_1SCDimension.html" title="The SCDimension class is used to determine the size and blocking of matrices.">SCDimension</a> specialization </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RefSCMatrix.html">sc::RefSCMatrix</a></td><td class="indexvalue">Smart pointer to an <a class="el" href="classsc_1_1SCMatrix.html" title="The SCMatrix class is the abstract base class for general double valued n by m matrices...">SCMatrix</a> specialization </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RefSCVector.html">sc::RefSCVector</a></td><td class="indexvalue">Smart pointer to an <a class="el" href="classsc_1_1SCVector.html" title="The SCVector class is the abstract base class for double valued vectors.">SCVector</a> specialization </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RefSymmSCMatrix.html">sc::RefSymmSCMatrix</a></td><td class="indexvalue">Smart pointer to an SCSymmSCMatrix specialization </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1RegionTimer.html">sc::RegionTimer</a></td><td class="indexvalue">Used to record the time spent in a section of code </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ReplSCMatrixKit.html">sc::ReplSCMatrixKit</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ReplSCMatrixKit.html" title="The ReplSCMatrixKit produces matrices that work in a many processor environment.">ReplSCMatrixKit</a> produces matrices that work in a many processor environment </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Result.html">sc::Result< T ></a></td><td class="indexvalue"><a class="el" href="classsc_1_1Result.html" title="Result are members of Compute specializations that keep track of whether or not a...">Result</a> are members of <a class="el" href="classsc_1_1Compute.html" title="The Compute class provides a means of keeping results up to date.">Compute</a> specializations that keep track of whether or not a particular result should be computed or if it has already been computed </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ResultInfo.html">sc::ResultInfo</a></td><td class="indexvalue">This is a base class for all of Compute's result types </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td class="indexvalue">Base class for objects that can save/restore state </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SavableStateProxy.html">sc::SavableStateProxy</a></td><td class="indexvalue">Create a proxy for a <a class="el" href="classsc_1_1SavableState.html" title="Base class for objects that can save/restore state.">SavableState</a> object </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ScaledTorsSimpleCo.html">sc::ScaledTorsSimpleCo</a></td><td class="indexvalue">Describes an scaled torsion internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCBlockInfo.html">sc::SCBlockInfo</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SCBlockInfo.html" title="SCBlockInfo contains blocking information for the SCDimension class.">SCBlockInfo</a> contains blocking information for the <a class="el" href="classsc_1_1SCDimension.html" title="The SCDimension class is used to determine the size and blocking of matrices.">SCDimension</a> class </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCDimension.html">sc::SCDimension</a></td><td class="indexvalue">Used to determine the size and blocking of matrices </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCElementKNorm.html">sc::SCElementKNorm</a></td><td class="indexvalue">Computed k-norm of matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCElementOp.html">sc::SCElementOp</a></td><td class="indexvalue">Objects of class <a class="el" href="classsc_1_1SCElementOp.html" title="Objects of class SCElementOp are used to perform operations on the elements of matrices...">SCElementOp</a> are used to perform operations on the elements of matrices </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCElementOp2.html">sc::SCElementOp2</a></td><td class="indexvalue">Very similar to the <a class="el" href="classsc_1_1SCElementOp.html" title="Objects of class SCElementOp are used to perform operations on the elements of matrices...">SCElementOp</a> class except that pairs of blocks are treated simultaneously </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCElementOp3.html">sc::SCElementOp3</a></td><td class="indexvalue">Very similar to the <a class="el" href="classsc_1_1SCElementOp.html" title="Objects of class SCElementOp are used to perform operations on the elements of matrices...">SCElementOp</a> class except that a triplet of blocks is treated simultaneously </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCException.html">sc::SCException</a></td><td class="indexvalue">This is a std::exception specialization that records information about where an exception took place </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCExtrapData.html">sc::SCExtrapData</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SCExtrapData.html" title="SCExtrapData hold the data to be extrapolated needed by SelfConsistentExtrapolation...">SCExtrapData</a> hold the data to be extrapolated needed by <a class="el" href="classsc_1_1SelfConsistentExtrapolation.html" title="The SelfConsistentExtrapolation abstract class is used to iteratively solve equations...">SelfConsistentExtrapolation</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCExtrapError.html">sc::SCExtrapError</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SCExtrapError.html" title="SCExtrapError holds the error data needed by SelfConsistentExtrapolation.">SCExtrapError</a> holds the error data needed by <a class="el" href="classsc_1_1SelfConsistentExtrapolation.html" title="The SelfConsistentExtrapolation abstract class is used to iteratively solve equations...">SelfConsistentExtrapolation</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td class="indexvalue">Base for all classes that use a self-consistent field procedure to solve an effective one body problem </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCFormIO.html">sc::SCFormIO</a></td><td class="indexvalue">This utility class is used to print only on node 0 and to provide attractive indentation of output </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrix.html">sc::SCMatrix</a></td><td class="indexvalue">Abstract base class for general double valued n by m matrices </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixBlock.html">sc::SCMatrixBlock</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SCMatrixBlock.html" title="SCMatrixBlock is the base clase for all types of blocks that comprise matrices and...">SCMatrixBlock</a> is the base clase for all types of blocks that comprise matrices and vectors </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixBlockIter.html">sc::SCMatrixBlockIter</a></td><td class="indexvalue">Used to described iterates that loop through the elements in a block </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixDiagBlock.html">sc::SCMatrixDiagBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCMatrixDiagBlock.html" title="The SCMatrixDiagBlock describes a diagonal piece of a matrix.">SCMatrixDiagBlock</a> describes a diagonal piece of a matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixDiagSubBlock.html">sc::SCMatrixDiagSubBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCMatrixDiagSubBlock.html" title="The SCMatrixDiagSubBlock describes a diagonal subblock of a matrix.">SCMatrixDiagSubBlock</a> describes a diagonal subblock of a matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixKit.html">sc::SCMatrixKit</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCMatrixKit.html" title="The SCMatrixKit abstract class acts as a factory for producing matrices.">SCMatrixKit</a> abstract class acts as a factory for producing matrices </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixLTriBlock.html">sc::SCMatrixLTriBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCMatrixLTriBlock.html" title="The SCMatrixLTriBlock describes a triangular piece of a matrix.">SCMatrixLTriBlock</a> describes a triangular piece of a matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixLTriSubBlock.html">sc::SCMatrixLTriSubBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCMatrixLTriSubBlock.html" title="The SCMatrixLTriSubBlock describes a triangular subblock of a matrix.">SCMatrixLTriSubBlock</a> describes a triangular subblock of a matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixRectBlock.html">sc::SCMatrixRectBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCMatrixRectBlock.html" title="The SCMatrixRectBlock describes a rectangular piece of a matrix.">SCMatrixRectBlock</a> describes a rectangular piece of a matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixRectSubBlock.html">sc::SCMatrixRectSubBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCMatrixRectSubBlock.html" title="The SCMatrixRectSubBlock describes a rectangular piece of a matrix.">SCMatrixRectSubBlock</a> describes a rectangular piece of a matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCMatrixSubblockIter.html">sc::SCMatrixSubblockIter</a></td><td class="indexvalue">Objects of class <a class="el" href="classsc_1_1SCMatrixSubblockIter.html" title="Objects of class SCMatrixSubblockIter are used to iterate through the blocks of a...">SCMatrixSubblockIter</a> are used to iterate through the blocks of a matrix </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1scprintf.html">sc::scprintf</a></td><td class="indexvalue">This class allows <code>printf</code> like output to put sent to an <code>ostream</code> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCVector.html">sc::SCVector</a></td><td class="indexvalue">Abstract base class for double valued vectors </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCVectorSimpleBlock.html">sc::SCVectorSimpleBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCVectorSimpleBlock.html" title="The SCVectorSimpleBlock describes a piece of a vector.">SCVectorSimpleBlock</a> describes a piece of a vector </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SCVectorSimpleSubBlock.html">sc::SCVectorSimpleSubBlock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SCVectorSimpleSubBlock.html" title="The SCVectorSimpleSubBlock describes a subblock of a vector.">SCVectorSimpleSubBlock</a> describes a subblock of a vector </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SelfConsistentExtrapolation.html">sc::SelfConsistentExtrapolation</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SelfConsistentExtrapolation.html" title="The SelfConsistentExtrapolation abstract class is used to iteratively solve equations...">SelfConsistentExtrapolation</a> abstract class is used to iteratively solve equations requiring a self consistent solution, such as, </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SetIntCoor.html">sc::SetIntCoor</a></td><td class="indexvalue">Describes a set of internal coordinates </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Shape.html">sc::Shape</a></td><td class="indexvalue">A <a class="el" href="classsc_1_1Shape.html" title="A Shape is a Volume represents an 3D solid.">Shape</a> is a <a class="el" href="classsc_1_1Volume.html" title="A Volume is a Function of three variables.">Volume</a> represents an 3D solid </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1DistShellPair_1_1SharedData.html">sc::DistShellPair::SharedData</a></td><td class="indexvalue">This is used to store data that must be shared between all cooperating shell pairs </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ShellPairCints.html">sc::ShellPairCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1ShellPairCints.html" title="ShellPairCints provides all primitive pair data for a given shell pair.">ShellPairCints</a> provides all primitive pair data for a given shell pair </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ShellPairsCints.html">sc::ShellPairsCints</a></td><td class="indexvalue"><a class="el" href="classsc_1_1ShellPairsCints.html" title="ShellPairsCints contains primitive pair data for all shell pairs.">ShellPairsCints</a> contains primitive pair data for all shell pairs </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ShellRotation.html">sc::ShellRotation</a></td><td class="indexvalue"><a class="el" href="classsc_1_1Compute.html" title="The Compute class provides a means of keeping results up to date.">Compute</a> the transformation matrices that maps a set of Cartesian functions to another set of Cartesian functions in a rotated coordinate system </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ShmMemoryGrp.html">sc::ShmMemoryGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ShmMemoryGrp.html" title="The ShmMemoryGrp concrete class provides an implementation of MsgMemoryGrp.">ShmMemoryGrp</a> concrete class provides an implementation of <a class="el" href="classsc_1_1MsgMemoryGrp.html" title="A MsgMemoryGrp that initializes its data using a messagegrp.">MsgMemoryGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ShmMessageGrp.html">sc::ShmMessageGrp</a></td><td class="indexvalue">Implementation of <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> that allows multiple process to be started that communicate with shared memory </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SimpleCo.html">sc::SimpleCo</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SimpleCo.html" title="The SimpleCo abstract class describes a simple internal coordinate of a molecule...">SimpleCo</a> abstract class describes a simple internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classMPQC_1_1SimpleDriver__impl.html">MPQC::SimpleDriver_impl</a></td><td class="indexvalue">Symbol "MPQC.SimpleDriver" (version 0.2) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SlaterXFunctional.html">sc::SlaterXFunctional</a></td><td class="indexvalue">Implements the Slater exchange functional </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SOBasis.html">sc::SOBasis</a></td><td class="indexvalue">A <a class="el" href="classsc_1_1SOBasis.html" title="A SOBasis object describes the transformation from an atomic orbital basis to a symmetry...">SOBasis</a> object describes the transformation from an atomic orbital basis to a symmetry orbital basis </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SOTransform.html">sc::SOTransform</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SOTransform.html" title="SOTransform maintains a list of AO shells that are be used to compute the SO.">SOTransform</a> maintains a list of AO shells that are be used to compute the SO </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SOTransformFunction.html">sc::SOTransformFunction</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SOTransformShell.html" title="SOTransformShell maintains a list of AO functions contribute to an SO function in...">SOTransformShell</a> describes how an AO function contributes to an SO function in a particular SO shell </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SOTransformShell.html">sc::SOTransformShell</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SOTransformShell.html" title="SOTransformShell maintains a list of AO functions contribute to an SO function in...">SOTransformShell</a> maintains a list of AO functions contribute to an SO function in a particular SO shell </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SpatialMOPairIter.html">sc::SpatialMOPairIter</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SpatialMOPairIter.html" title="SpatialMOPairIter gives the ordering of pairs of spatial orbitals.">SpatialMOPairIter</a> gives the ordering of pairs of spatial orbitals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SpatialMOPairIter__eq.html">sc::SpatialMOPairIter_eq</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SpatialMOPairIter__eq.html" title="SpatialMOPairIter_eq gives the ordering of same-spin and different-spin orbital pairs...">SpatialMOPairIter_eq</a> gives the ordering of same-spin and different-spin orbital pairs if both orbitals of the pairs are from the same space </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SpatialMOPairIter__neq.html">sc::SpatialMOPairIter_neq</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SpatialMOPairIter__neq.html" title="SpatialMOPairIter_neq gives the ordering of pairs of spatial orbitals from different...">SpatialMOPairIter_neq</a> gives the ordering of pairs of spatial orbitals from different spaces </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SphericalTransform.html">sc::SphericalTransform</a></td><td class="indexvalue">This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SphericalTransformComponent.html">sc::SphericalTransformComponent</a></td><td class="indexvalue">This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SphericalTransformIter.html">sc::SphericalTransformIter</a></td><td class="indexvalue">This iterates through the components of a <a class="el" href="classsc_1_1SphericalTransform.html" title="This is a base class for a container for a sparse Cartesian to solid harmonic basis...">SphericalTransform</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SSAccResult.html">sc::SSAccResult< T ></a></td><td class="indexvalue">This associates a result datum with an accuracy </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateIn.html">sc::StateIn</a></td><td class="indexvalue">Restores objects that derive from <a class="el" href="classsc_1_1SavableState.html" title="Base class for objects that can save/restore state.">SavableState</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateInBin.html">sc::StateInBin</a></td><td class="indexvalue">Read objects written with <a class="el" href="classsc_1_1StateOutBin.html" title="Save state to a binary file.">StateOutBin</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateInFile.html">sc::StateInFile</a></td><td class="indexvalue">Reads state information from a file </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateInText.html">sc::StateInText</a></td><td class="indexvalue">Reads state information written with <a class="el" href="classsc_1_1StateOutText.html" title="Writes out state information in an almost human readable format.">StateOutText</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateOut.html">sc::StateOut</a></td><td class="indexvalue">Serializes objects that derive from <a class="el" href="classsc_1_1SavableState.html" title="Base class for objects that can save/restore state.">SavableState</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateOutBin.html">sc::StateOutBin</a></td><td class="indexvalue">Save state to a binary file </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateOutFile.html">sc::StateOutFile</a></td><td class="indexvalue">Writes state information to files </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateOutText.html">sc::StateOutText</a></td><td class="indexvalue">Writes out state information in an almost human readable format </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateRecv.html">sc::StateRecv</a></td><td class="indexvalue"><a class="el" href="classsc_1_1StateRecv.html" title="StateRecv is a concrete specialization of MsgStateRecv that does the receive part...">StateRecv</a> is a concrete specialization of <a class="el" href="classsc_1_1MsgStateRecv.html" title="The MsgStateRecv is an abstract base class that receives objects from nodes in a...">MsgStateRecv</a> that does the receive part of point to point communication in a <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StateSend.html">sc::StateSend</a></td><td class="indexvalue"><a class="el" href="classsc_1_1StateSend.html" title="StateSend is a concrete specialization of MsgStateSend that does the send part of...">StateSend</a> is a concrete specialization of <a class="el" href="classsc_1_1MsgStateSend.html" title="The MsgStateSend is an abstract base class that sends objects to nodes in a MessageGrp...">MsgStateSend</a> that does the send part of point to point communication in a <a class="el" href="classsc_1_1MessageGrp.html" title="The MessageGrp abstract class provides a mechanism for moving data and objects between...">MessageGrp</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StdDenFunctional.html">sc::StdDenFunctional</a></td><td class="indexvalue">Used to construct the standard density functionals </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StreSimpleCo.html">sc::StreSimpleCo</a></td><td class="indexvalue">Describes an stretch internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1StringKeyVal.html">sc::StringKeyVal</a></td><td class="indexvalue"><a class="el" href="classsc_1_1StringKeyVal.html" title="StringKeyVal is a base class for KeyVal implementations that store all values in...">StringKeyVal</a> is a base class for <a class="el" href="classsc_1_1KeyVal.html" title="The KeyVal class is designed to simplify the process of allowing a user to specify...">KeyVal</a> implementations that store all values in a string format </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SumDenFunctional.html">sc::SumDenFunctional</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1SumDenFunctional.html" title="The SumDenFunctional computes energies and densities using the a sum of energy density...">SumDenFunctional</a> computes energies and densities using the a sum of energy density functions method </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SumIntCoor.html">sc::SumIntCoor</a></td><td class="indexvalue"><a class="el" href="classsc_1_1SumIntCoor.html" title="SumIntCoor is used to construct linear combinations of internal coordinates.">SumIntCoor</a> is used to construct linear combinations of internal coordinates </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SymmetryOperation.html">sc::SymmetryOperation</a></td><td class="indexvalue">3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td class="indexvalue">Derives from <a class="el" href="classsc_1_1IntMolecularCoor.html" title="The IntMolecularCoor abstract class describes a molecule's coordinates in terms...">IntMolecularCoor</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SymmSCMatrix.html">sc::SymmSCMatrix</a></td><td class="indexvalue">Abstract base class for symmetric double valued matrices </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SymRep.html">sc::SymRep</a></td><td class="indexvalue">N dimensional matrix representation of a symmetry operation, such as a rotation or reflection </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SyscallFailed.html">sc::SyscallFailed</a></td><td class="indexvalue">This is thrown when an system call fails with an errno </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1SystemException.html">sc::SystemException</a></td><td class="indexvalue">This is thrown when a system problem occurs </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Thread.html">sc::Thread</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1Thread.html" title="The Thread abstract class defines an interface which must be implemented by classes...">Thread</a> abstract class defines an interface which must be implemented by classes wishing to be run as threads </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ThreadGrp.html">sc::ThreadGrp</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ThreadGrp.html" title="The ThreadGrp abstract class provides a means to manage separate threads of control...">ThreadGrp</a> abstract class provides a means to manage separate threads of control </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ThreadLock.html">sc::ThreadLock</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1ThreadLock.html" title="The ThreadLock abstract class provides mutex locks to be used in conjunction with...">ThreadLock</a> abstract class provides mutex locks to be used in conjunction with ThreadGrp's </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ThreadLockHolder.html">sc::ThreadLockHolder</a></td><td class="indexvalue">Acquire a lock on creation and release it on destruction </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Timer.html">sc::Timer</a></td><td class="indexvalue">Uses <a class="el" href="classsc_1_1RegionTimer.html" title="The RegionTimer class is used to record the time spent in a section of code.">RegionTimer</a> to time intervals in an exception safe manner </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1ToleranceExceeded.html">sc::ToleranceExceeded</a></td><td class="indexvalue">This is thrown when when some tolerance is exceeded </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TorsSimpleCo.html">sc::TorsSimpleCo</a></td><td class="indexvalue">Describes an torsion internal coordinate of a molecule </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TranslateData.html">sc::TranslateData</a></td><td class="indexvalue">Generic data translation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TranslateDataByteSwap.html">sc::TranslateDataByteSwap</a></td><td class="indexvalue">Data translation to an external representation with bytes swapped </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TranslateDataIn.html">sc::TranslateDataIn</a></td><td class="indexvalue">Convert data from other formats </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TranslateDataOut.html">sc::TranslateDataOut</a></td><td class="indexvalue">Convert data to other formats </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyDerivInt.html">sc::TwoBodyDerivInt</a></td><td class="indexvalue">This is an abstract base type for classes that compute integrals involving two electrons </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyDerivIntCCA.html">sc::TwoBodyDerivIntCCA</a></td><td class="indexvalue">This implements two body derivative integrals through the CCA interface </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyDerivIntCints.html">sc::TwoBodyDerivIntCints</a></td><td class="indexvalue">This implements electron repulsion derivative integrals in the IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyDerivIntV3.html">sc::TwoBodyDerivIntV3</a></td><td class="indexvalue">This implements electron repulsion derivative integrals in the IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyGrid.html">sc::TwoBodyGrid</a></td><td class="indexvalue">Class <a class="el" href="classsc_1_1TwoBodyGrid.html" title="Class TwoBodyGrid describes a set of coordinates of 2 particles.">TwoBodyGrid</a> describes a set of coordinates of 2 particles </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyInt.html">sc::TwoBodyInt</a></td><td class="indexvalue">This is an abstract base type for classes that compute integrals involving two electrons </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyIntCCA.html">sc::TwoBodyIntCCA</a></td><td class="indexvalue">This implements two body integrals through the CCA interface </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyIntCints.html">sc::TwoBodyIntCints</a></td><td class="indexvalue">This implements electron repulsion integrals in the IntCints library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyIntV3.html">sc::TwoBodyIntV3</a></td><td class="indexvalue">This implements electron repulsion integrals in the IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html">sc::TwoBodyMOIntsTransform</a></td><td class="indexvalue"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html" title="TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct...">TwoBodyMOIntsTransform</a> computes two-body integrals in MO basis using parallel integrals-direct AO->MO transformation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ijxy.html">sc::TwoBodyMOIntsTransform_ijxy</a></td><td class="indexvalue"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ijxy.html" title="TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel integrals-direct...">TwoBodyMOIntsTransform_ijxy</a> computes (ij|xy) integrals using parallel integrals-direct AO->MO transformation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ikjy.html">sc::TwoBodyMOIntsTransform_ikjy</a></td><td class="indexvalue"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ikjy.html" title="TwoBodyMOIntsTransform_ikjy computes (ik|jy) integrals using parallel integrals-direct...">TwoBodyMOIntsTransform_ikjy</a> computes (ik|jy) integrals using parallel integrals-direct AO->MO transformation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html">sc::TwoBodyMOIntsTransform_ixjy</a></td><td class="indexvalue"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html" title="TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct...">TwoBodyMOIntsTransform_ixjy</a> computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyThreeCenterDerivInt.html">sc::TwoBodyThreeCenterDerivInt</a></td><td class="indexvalue">This is an abstract base type for classes that compute three centers integrals involving two electrons </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyThreeCenterInt.html">sc::TwoBodyThreeCenterInt</a></td><td class="indexvalue">This is an abstract base type for classes that compute integrals involving two electrons in three Gaussian functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyThreeCenterIntV3.html">sc::TwoBodyThreeCenterIntV3</a></td><td class="indexvalue">This implements electron repulsion integrals involving three centers in the IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyTwoCenterDerivInt.html">sc::TwoBodyTwoCenterDerivInt</a></td><td class="indexvalue">This is an abstract base type for classes that compute two centers integrals involving two electrons </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyTwoCenterInt.html">sc::TwoBodyTwoCenterInt</a></td><td class="indexvalue">This is an abstract base type for classes that compute integrals involving two electrons in two Gaussian functions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1TwoBodyTwoCenterIntV3.html">sc::TwoBodyTwoCenterIntV3</a></td><td class="indexvalue">This implements electron repulsion integrals involving two centers in the IntV3 library </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1UHF.html">sc::UHF</a></td><td class="indexvalue">This provides an unrestricted Hartree-Fock implementation </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1UKS.html">sc::UKS</a></td><td class="indexvalue">This provides a Kohn-Sham implementation for unrestricted-orbital open-shell systems </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1UnionShape.html">sc::UnionShape</a></td><td class="indexvalue">A <a class="el" href="classsc_1_1UnionShape.html" title="A UnionShape is volume enclosed by a set of Shape's.">UnionShape</a> is volume enclosed by a set of Shape's </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Units.html">sc::Units</a></td><td class="indexvalue">Used to perform unit converions </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td class="indexvalue">A base class for unrestricted self-consistent-field methods </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1GaussianBasisSet_1_1ValueData.html">sc::GaussianBasisSet::ValueData</a></td><td class="indexvalue">This holds scratch data needed to compute basis function values </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1VDWShape.html">sc::VDWShape</a></td><td class="indexvalue">Describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Volume.html">sc::Volume</a></td><td class="indexvalue">A <a class="el" href="classsc_1_1Volume.html" title="A Volume is a Function of three variables.">Volume</a> is a <a class="el" href="classsc_1_1Function.html" title="The Function class is an abstract base class that, given a set of coordinates, will...">Function</a> of three variables </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1VWN1LCFunctional.html">sc::VWN1LCFunctional</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1VWN1LCFunctional.html" title="The VWN1LCFunctional computes energies and densities using the VWN1 local correlation...">VWN1LCFunctional</a> computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1VWN2LCFunctional.html">sc::VWN2LCFunctional</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1VWN2LCFunctional.html" title="The VWN2LCFunctional computes energies and densities using the VWN2 local correlation...">VWN2LCFunctional</a> computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1VWN3LCFunctional.html">sc::VWN3LCFunctional</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1VWN3LCFunctional.html" title="The VWN3LCFunctional computes energies and densities using the VWN3 local correlation...">VWN3LCFunctional</a> computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1VWN4LCFunctional.html">sc::VWN4LCFunctional</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1VWN4LCFunctional.html" title="The VWN4LCFunctional computes energies and densities using the VWN4 local correlation...">VWN4LCFunctional</a> computes energies and densities using the VWN4 local correlation term (from Vosko, Wilk, and Nusair) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1VWN5LCFunctional.html">sc::VWN5LCFunctional</a></td><td class="indexvalue">The <a class="el" href="classsc_1_1VWN5LCFunctional.html" title="The VWN5LCFunctional computes energies and densities using the VWN5 local correlation...">VWN5LCFunctional</a> computes energies and densities using the VWN5 local correlation term (from Vosko, Wilk, and Nusair) </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1VWNLCFunctional.html">sc::VWNLCFunctional</a></td><td class="indexvalue">An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td class="indexvalue">A <a class="el" href="classsc_1_1Wavefunction.html" title="A Wavefunction is a MolecularEnergy that utilizies a GaussianBasisSet.">Wavefunction</a> is a <a class="el" href="classsc_1_1MolecularEnergy.html" title="The MolecularEnergy abstract class inherits from the Function class.">MolecularEnergy</a> that utilizies a <a class="el" href="classsc_1_1GaussianBasisSet.html" title="The GaussianBasisSet class is used describe a basis set composed of atomic gaussian...">GaussianBasisSet</a> </td></tr>
<tr><td class="indexkey"><a class="el" href="classsc_1_1XalphaFunctional.html">sc::XalphaFunctional</a></td><td class="indexvalue">Implements the Xalpha exchange functional </td></tr>
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distrib
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Mandriva
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2010.0
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i586
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media
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contrib-release
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by-pkgid
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247b28499c443e092731ffba814075f2
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