Author: Linux Manual

sc::Thread – The Thread abstract class defines an interface which must be implemented by classes wishing to be run as threads. Synopsis #include <thread.h> Inherited by sc::CSGrad34Qbtr, sc::CSGradErep12Qtr, sc::CSGradS2PDM, sc::GBuild< T >, sc::HSOSV1Erep1Qtr, sc::TBGrad< T >, sc::TwoBodyMOIntsTransform_123Inds, sc::TwoBodyMOIntsTransform_12Inds, and sc::TwoBodyMOIntsTransform_13Inds. Public Member Functions virtual void run ()=0 This is called with the Thread is run…

sc::TaylorMolecularEnergy – Synopsis Inherits sc::MolecularEnergy. Public Member Functions TaylorMolecularEnergy (const Ref< KeyVal > &) TaylorMolecularEnergy (StateIn &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. void print (std::ostream &=ExEnv::out0()) const Print information about the object. void compute () Recompute at…

sc::TCSCF – Synopsis Inherits sc::SCF. Inherited by sc::TCHF. Public Member Functions TCSCF (StateIn &) TCSCF (const Ref< KeyVal > &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. void print (std::ostream &o=ExEnv::out0()) const Print information about the object. double occupation…

TCPSocket – Synopsis Inherited by TCPIOSocket, and TCPServerSocket. Public Member Functions void create () void bind (u_int16_t port_begin, u_int16_t port_fence) int port () u_int32_t addr () bool initialized () bool bound () virtual void close () Protected Attributes int socket_ int port_ bool initialized_ bool bound_ Author Generated automatically by Doxygen for MPQC from the…

TCPIOSocket – Synopsis Inherits TCPSocket. Inherited by TCPClientConnection, and TCPServerConnection. Public Member Functions int read (void *d, int n) int write (const void *d, int n) int read_int (int *d, int n) int write_int (const int *d, int n) int read_string (std::string &) int write_string (const std::string &) int read_int (int &) int write_int (int)…

sc::TCHF – Synopsis Inherits sc::TCSCF. Public Member Functions TCHF (StateIn &) TCHF (const Ref< KeyVal > &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. void print (std::ostream &o=ExEnv::out0()) const Print information about the object. void two_body_energy (double &ec, double…

sc::TBGrad – Synopsis Inherits sc::Thread. Inherited by sc::LocalTBGrad< T >. Public Member Functions TBGrad (T &t, double ex=1.0) void set_scale (double &coulombscale, double &exchangescale, int i, int j, int k, int l) const Protected Attributes T & contribution double exchange_fraction template<class T> class sc::TBGrad< T > Author Generated automatically by Doxygen for MPQC from the…

sc::SystemException – This is thrown when a system problem occurs. Synopsis #include <scexception.h> Inherits sc::SCException. Inherited by sc::FileOperationFailed, sc::MemAllocFailed, and sc::SyscallFailed. Public Member Functions SystemException (const char *description=0, const char *file=0, int line=0, const ClassDesc *class_desc=0, const char *exception_type=’SystemException’) throw () SystemException (const SystemException &) throw () Detailed Description This is thrown when a system…

sc::SyscallFailed – This is thrown when an system call fails with an errno. Synopsis #include <scexception.h> Inherits sc::SystemException. Public Member Functions SyscallFailed (const char *description=0, const char *source_file=0, int line=0, const char *syscall=0, int err=0, const ClassDesc *class_desc=0, const char *exception_type=’SyscallFailed’) throw () SyscallFailed (const SyscallFailed &) throw () const char * syscall () const…

sc::SymmetryOperation – The SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection. Synopsis #include <pointgrp.h> Public Member Functions SymmetryOperation (const SymmetryOperation &) double trace () const returns the trace of the transformation matrix double * operator[] (int i) returns the i’th row of the transformation…

sc::SymmTwoBodyIntIter – Synopsis Inherits sc::TwoBodyIntIter. Public Member Functions SymmTwoBodyIntIter (const Ref< TwoBodyInt > &, const Ref< PetiteList > &) void start () void next () double scale () const Protected Attributes Ref< PetiteList > pl Author Generated automatically by Doxygen for MPQC from the source code.

sc::SymmSCMatrixSCExtrapError – Synopsis Inherits sc::SCExtrapError. Public Member Functions SymmSCMatrixSCExtrapError (StateIn &) SymmSCMatrixSCExtrapError (const RefSymmSCMatrix &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. double error () Returns some measure of the total error. double scalar_product (const Ref< SCExtrapError > &)…

sc::SymmSCMatrixSCExtrapData – Synopsis Inherits sc::SCExtrapData. Public Member Functions SymmSCMatrixSCExtrapData (StateIn &) SymmSCMatrixSCExtrapData (const RefSymmSCMatrix &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. SCExtrapData * copy () Return a copy of this. void zero () Set this to zero. void…

sc::SymmSCMatrix4SCExtrapData – Synopsis Inherits sc::SCExtrapData. Public Member Functions SymmSCMatrix4SCExtrapData (StateIn &) SymmSCMatrix4SCExtrapData (const RefSymmSCMatrix &, const RefSymmSCMatrix &, const RefSymmSCMatrix &, const RefSymmSCMatrix &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. SCExtrapData * copy () Return a copy of…

sc::SymmSCMatrix2SCExtrapData – Synopsis Inherits sc::SCExtrapData. Public Member Functions SymmSCMatrix2SCExtrapData (StateIn &) SymmSCMatrix2SCExtrapData (const RefSymmSCMatrix &, const RefSymmSCMatrix &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. SCExtrapData * copy () Return a copy of this. void zero () Set this…

sc::SymmSCMatrix – The SymmSCMatrix class is the abstract base class for symmetric double valued matrices. Synopsis #include <abstract.h> Inherits sc::DescribedClass. Inherited by sc::BlockedSymmSCMatrix, sc::DistSymmSCMatrix, sc::LocalSymmSCMatrix, and sc::ReplSymmSCMatrix. Public Member Functions SymmSCMatrix (const RefSCDimension &, SCMatrixKit *) Ref< SCMatrixKit > kit () const Return the SCMatrixKit object that created this object. virtual void save (StateOut &)…

sc::SymmOneBodyIntIter – Synopsis Inherits sc::OneBodyIntIter. Public Member Functions SymmOneBodyIntIter (const Ref< OneBodyInt > &, const Ref< PetiteList > &) void start (int ist=0, int jst=0, int ien=0, int jen=0) void next () double scale () const bool cloneable () Ref< OneBodyIntIter > clone () Protected Attributes Ref< PetiteList > pl Author Generated automatically by Doxygen…

sc::SymmMolecularCoor – The SymmMolecularCoor class derives from IntMolecularCoor. Synopsis #include <coor.h> Inherits sc::IntMolecularCoor. Public Member Functions SymmMolecularCoor (Ref< Molecule > &mol) SymmMolecularCoor (StateIn &) SymmMolecularCoor (const Ref< KeyVal > &) The KeyVal constructor. void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes…

sc::SymRep – The SymRep class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection. Synopsis #include <pointgrp.h> Public Member Functions SymRep (int=0) SymRep (const SymmetryOperation &) operator SymmetryOperation () const Cast to a SymmetryOperation. double trace () const returns the trace of the transformation matrix void set_dim (int…

sc::SumMolecularEnergy – Synopsis Inherits sc::MolecularEnergy. Inherited by sc::MP2BasisExtrap. Public Member Functions SumMolecularEnergy (const Ref< KeyVal > &) SumMolecularEnergy (StateIn &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. int value_implemented () const Information about the availability of values, gradients, and…