- sc_SCMatrixSubblockIter
-
Objects of class SCMatrixSubblockIter are used to iterate through the blocks of a matrix.
- sc_scprintf
-
This class allows printf like output to put sent to an ostream.
- sc_SCVector
-
The SCVector class is the abstract base class for double valued vectors.
- sc_SCVectorSimpleBlock
-
The SCVectorSimpleBlock describes a piece of a vector.
- sc_SCVectorSimpleSubBlock
-
The SCVectorSimpleSubBlock describes a subblock of a vector.
- sc_select_file
-
Select a file on a smart card
- sc_SelfConsistentExtrapolation
-
The SelfConsistentExtrapolation abstract class is used to iteratively solve equations requiring a self consistent solution, such as,.
- sc_SetIntCoor
-
The SetIntCoor class describes a set of internal coordinates.
- sc_set_card_driver
-
Force the use of a specified smart card driver
- sc_Shape
-
A Shape is a Volume represents an 3D solid.
- sc_ShellPairCints
-
ShellPairCints provides all primitive pair data for a given shell pair.
- sc_ShellPairsCints
-
ShellPairsCints contains primitive pair data for all shell pairs.
- sc_ShellRotation
-
Compute the transformation matrices that maps a set of Cartesian functions to another set of Cartesian functions in a rotated coordinate system.
- sc_ShmMemoryGrp
-
The ShmMemoryGrp concrete class provides an implementation of MsgMemoryGrp.
- sc_ShmMessageGrp
-
The ShmMessageGrp class is an implementation of MessageGrp that allows multiple process to be started that communicate with shared memory.
- sc_SimpleCo
-
The SimpleCo abstract class describes a simple internal coordinate of a molecule.
- sc_SlaterXFunctional
-
Implements the Slater exchange functional.
- sc_SOBasis
-
A SOBasis object describes the transformation from an atomic orbital basis to a symmetry orbital basis.
- sc_SOTransform
-
SOTransform maintains a list of AO shells that are be used to compute the SO.
- sc_SOTransformFunction
-
SOTransformShell describes how an AO function contributes to an SO function in a particular SO shell.
- sc_SOTransformShell
-
SOTransformShell maintains a list of AO functions contribute to an SO function in a particular SO shell.
- sc_SpatialMOPairIter
-
SpatialMOPairIter gives the ordering of pairs of spatial orbitals.
- sc_SpatialMOPairIter_eq
-
SpatialMOPairIter_eq gives the ordering of same-spin and different-spin orbital pairs if both orbitals of the pairs are from the same space.
- sc_SpatialMOPairIter_neq
-
SpatialMOPairIter_neq gives the ordering of pairs of spatial orbitals from different spaces.
- sc_SphericalTransform
-
This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation.
- sc_SphericalTransformComponent
-
This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation.
- sc_SphericalTransformIter
-
This iterates through the components of a SphericalTransform.
- sc_SSAccResult
-
This associates a result datum with an accuracy.
- sc_StateIn
-
Restores objects that derive from SavableState.
- sc_StateInBin
-
Read objects written with StateOutBin.
- sc_StateInFile
-
Reads state information from a file.
- sc_StateInText
-
Reads state information written with StateOutText.
- sc_StateOut
-
Serializes objects that derive from SavableState.
- sc_StateOutBin
-
Save state to a binary file.
- sc_StateOutFile
-
Writes state information to files.
- sc_StateOutText
-
Writes out state information in an almost human readable format.
- sc_StateRecv
-
StateRecv is a concrete specialization of MsgStateRecv that does the receive part of point to point communication in a MessageGrp.
- sc_StateSend
-
StateSend is a concrete specialization of MsgStateSend that does the send part of point to point communication in a MessageGrp.
- sc_StdDenFunctional
-
The StdDenFunctional class is used to construct the standard density functionals.
- sc_strerror
-
Return string describing error code
- sc_StreSimpleCo
-
The StreSimpleCo class describes an stretch internal coordinate of a molecule.
- sc_StringKeyVal
-
StringKeyVal is a base class for KeyVal implementations that store all values in a string format.
- sc_SumDenFunctional
-
The SumDenFunctional computes energies and densities using the a sum of energy density functions method.
- sc_SumIntCoor
-
SumIntCoor is used to construct linear combinations of internal coordinates.
- sc_SymmetryOperation
-
The SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection.
- sc_SymmMolecularCoor
-
The SymmMolecularCoor class derives from IntMolecularCoor.
- sc_SymmSCMatrix
-
The SymmSCMatrix class is the abstract base class for symmetric double valued matrices.
- sc_SymRep
-
The SymRep class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection.
- sc_SyscallFailed
-
This is thrown when an system call fails with an errno.
- sc_SystemException
-
This is thrown when a system problem occurs.