Pages du manuel Linux : Fonctions des bibliothèques

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.