- sc_QNewtonOpt
-
The QNewtonOpt implements a quasi-Newton optimization scheme.
- sc_R12Amplitudes
-
R12Amplitudes gives the amplitudes of some linear-R12-ansatz-related terms in wave function.
- sc_R12IntEval
-
R12IntEval is the top-level class which computes intermediates occuring in linear R12 theories.
- sc_R12IntEvalInfo
-
Class R12IntEvalInfo contains information necessary for R12 intermediate evaluators.
- sc_R12IntsAcc
-
R12IntsAcc accumulates transformed (MO) integrals stored as (ijxy) where i, j, x, and, y lie in spaces I, J, X, and Y, respectively.
- sc_RadialAngularIntegrator
-
An implementation of an integrator using any combination of a RadialIntegrator and an AngularIntegrator.
- sc_RadialIntegrator
-
An abstract base class for radial integrators.
- sc_RDMAMemoryGrp
-
The RDMAMemoryGrp abstract class specializes the MsgMemoryGrp class.
- sc_read_binary
-
Read a file
- sc_read_record
-
Read a record from a file
- sc_RedundantCartesianIter
-
RedundantCartesianIter objects loop through all possible combinations of a given number of axes.
- sc_RedundantCartesianSubIter
-
Like RedundantCartesianIter, except a, b, and c are fixed to a given value.
- sc_RedundMolecularCoor
-
The RedundMolecularCoor class provides a redundant set of simple internal coordinates.
- sc_Ref
-
A template class that maintains references counts.
- sc_RefBase
-
Provides a few utility routines common to all Ref template instantiations.
- sc_RefCount
-
The base class for all reference counted objects.
- sc_RefDiagSCMatrix
-
The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.
- sc_RefSCDimension
-
The RefSCDimension class is a smart pointer to an SCDimension specialization.
- sc_RefSCMatrix
-
The RefSCMatrix class is a smart pointer to an SCMatrix specialization.
- sc_RefSCVector
-
The RefSCVector class is a smart pointer to an SCVector specialization.
- sc_RefSymmSCMatrix
-
The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization.
- sc_RegionTimer
-
The RegionTimer class is used to record the time spent in a section of code.
- sc_release_context
-
Release an OpenSC context
- sc_ReplSCMatrixKit
-
The ReplSCMatrixKit produces matrices that work in a many processor environment.
- sc_Result
-
Result are members of Compute specializations that keep track of whether or not a particular result should be computed or if it has already been computed.
- sc_ResultInfo
-
This is a base class for all of Compute's result types.
- sc_SavableState
-
Base class for objects that can save/restore state.
- sc_SavableStateProxy
-
Create a proxy for a SavableState object.
- sc_ScaledTorsSimpleCo
-
The ScaledTorsSimpleCo class describes an scaled torsion internal coordinate of a molecule.
- sc_SCBlockInfo
-
SCBlockInfo contains blocking information for the SCDimension class.
- sc_SCDimension
-
The SCDimension class is used to determine the size and blocking of matrices.
- sc_SCElementKNorm
-
Computed k-norm of matrix.
- sc_SCElementOp
-
Objects of class SCElementOp are used to perform operations on the elements of matrices.
- sc_SCElementOp2
-
The SCElementOp2 class is very similar to the SCElementOp class except that pairs of blocks are treated simultaneously.
- sc_SCElementOp3
-
The SCElementOp3 class is very similar to the SCElementOp class except that a triplet of blocks is treated simultaneously.
- sc_SCException
-
This is a std::exception specialization that records information about where an exception took place.
- sc_SCExtrapData
-
SCExtrapData hold the data to be extrapolated needed by SelfConsistentExtrapolation.
- sc_SCExtrapError
-
SCExtrapError holds the error data needed by SelfConsistentExtrapolation.
- sc_SCF
-
The SCF class is the base for all classes that use a self-consistent field procedure to solve an effective one body problem.
- sc_SCFormIO
-
This utility class is used to print only on node 0 and to provide attractive indentation of output.
- sc_SCMatrix
-
The SCMatrix class is the abstract base class for general double valued n by m matrices.
- sc_SCMatrixBlock
-
SCMatrixBlock is the base clase for all types of blocks that comprise matrices and vectors.
- sc_SCMatrixBlockIter
-
The SCMatrixBlockIter class is used to described iterates that loop through the elements in a block.
- sc_SCMatrixDiagBlock
-
The SCMatrixDiagBlock describes a diagonal piece of a matrix.
- sc_SCMatrixDiagSubBlock
-
The SCMatrixDiagSubBlock describes a diagonal subblock of a matrix.
- sc_SCMatrixKit
-
The SCMatrixKit abstract class acts as a factory for producing matrices.
- sc_SCMatrixLTriBlock
-
The SCMatrixLTriBlock describes a triangular piece of a matrix.
- sc_SCMatrixLTriSubBlock
-
The SCMatrixLTriSubBlock describes a triangular subblock of a matrix.
- sc_SCMatrixRectBlock
-
The SCMatrixRectBlock describes a rectangular piece of a matrix.
- sc_SCMatrixRectSubBlock
-
The SCMatrixRectSubBlock describes a rectangular piece of a matrix.