QCTrace Class Reference

#include <QCTrace.hpp>

List of all members.


Detailed Description

Class : QCTrace

The goal if this class is to write in a file information of quantities defined in a Subdomain such as Density Matrix

Definition at line 30 of file QCTrace.hpp.

Public Member Functions

void init (std::string &name, const int mySD, const int myProc)
void initModel (QCModelMatrices &matrices)
 QCTrace ()
void traceOff ()
void traceOn ()
template<class T>
void writeArray (int i1, int i2, T *val)
template<class T>
void writeArray (int dim, T *val)
void writeDensityMatrix ()
void writeDensityMatrix (QCModelMatrices &matrices)
void writeEigenValue ()
void writeEigenValue (QCModelMatrices &matrices)
void writeEigenValuesAndEigenVectors ()
void writeFockMatrix ()
void writeFockMatrix (QCModelMatrices &matrices)
void writeHamiltonMatrix ()
void writeHamiltonMatrix (QCModelMatrices &matrices)
void writeMsg (const std::string &msg)
void writeReducedDensityMatrix ()
void writeReducedDensityMatrix (QCModelMatrices &matrices)
template<class T>
void writeVal (const std::string &msg, const T &val)
 ~QCTrace ()

Private Attributes

QCModelMatrices_matrices
 Pointer on the unknowns.
ofstream _outTrace
 The stream on a file.
bool _traceOn


Constructor & Destructor Documentation

QCTrace::QCTrace  ) 
 

Definition at line 18 of file QCTrace.cpp.

QCTrace::~QCTrace  ) 
 

Definition at line 21 of file QCTrace.cpp.

References _outTrace.


Member Function Documentation

void QCTrace::init std::string &  name,
const int  mySD,
const int  myProc
 

Definition at line 26 of file QCTrace.cpp.

References _outTrace.

Referenced by main().

void QCTrace::initModel QCModelMatrices matrices  )  [inline]
 

Definition at line 43 of file QCTrace.hpp.

References _matrices.

Referenced by main().

void QCTrace::traceOff  )  [inline]
 

Definition at line 40 of file QCTrace.hpp.

References _traceOn.

Referenced by main(), and QCDCAlgo::optimalDamping().

void QCTrace::traceOn  )  [inline]
 

Definition at line 38 of file QCTrace.hpp.

References _traceOn.

Referenced by QCDCAlgo::optimalDamping().

template<class T>
void QCTrace::writeArray int  i1,
int  i2,
T *  val
 

Method to write the values between indexes i1 and i2 of array (val) in the file of trace.

Definition at line 91 of file QCTrace.hpp.

References _outTrace, _traceOn, and QC_TRACE.

template<class T>
void QCTrace::writeArray int  dim,
T *  val
[inline]
 

Method to write an array (val) of size dim in the file of trace.

Definition at line 71 of file QCTrace.hpp.

void QCTrace::writeDensityMatrix  ) 
 

Definition at line 54 of file QCTrace.cpp.

References _matrices, _outTrace, _traceOn, QCModelMatrices::getDensityP(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE.

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void QCTrace::writeDensityMatrix QCModelMatrices matrices  ) 
 

Definition at line 40 of file QCTrace.cpp.

References _outTrace, _traceOn, QCModelMatrices::getDensityP(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE.

Referenced by QCDCAlgo::optimalDamping().

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void QCTrace::writeEigenValue  ) 
 

Definition at line 82 of file QCTrace.cpp.

References _matrices, _outTrace, _traceOn, QCMatrix::getDim(), QCModelMatrices::getEigenVal(), QCModelMatrices::getFockF(), QCMatElemGtr< TPMatrix >::getMatrix(), QC_TRACE, and QCRestrict.

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void QCTrace::writeEigenValue QCModelMatrices matrices  ) 
 

Definition at line 69 of file QCTrace.cpp.

References _outTrace, _traceOn, QCMatrix::getDim(), QCModelMatrices::getEigenVal(), QCModelMatrices::getFockF(), QCMatElemGtr< TPMatrix >::getMatrix(), QC_TRACE, and QCRestrict.

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void QCTrace::writeEigenValuesAndEigenVectors  ) 
 

Definition at line 95 of file QCTrace.cpp.

References _matrices, _outTrace, _traceOn, QCMatrix::getDim(), QCModelMatrices::getEigenVal(), QCModelMatrices::getEigenVectCt(), QCModelMatrices::getFockF(), QCMatElemGtr< TPMatrix >::getMatrix(), QCMatrix::print(), QC_TRACE, and QCRestrict.

Referenced by QCDCAlgo::optimalDamping().

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void QCTrace::writeFockMatrix  ) 
 

Definition at line 118 of file QCTrace.cpp.

References _matrices, _outTrace, _traceOn, QCModelMatrices::getFockF(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE.

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void QCTrace::writeFockMatrix QCModelMatrices matrices  ) 
 

Definition at line 111 of file QCTrace.cpp.

References _outTrace, _traceOn, QCModelMatrices::getFockF(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE.

Referenced by QCMDSystem< TPSolver >::completeFockMatricesAndElecEnergy(), and QCDCAlgo::optimalDamping().

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void QCTrace::writeHamiltonMatrix  ) 
 

Definition at line 133 of file QCTrace.cpp.

References _matrices, _outTrace, _traceOn, QCModelMatrices::getHamiltonH(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE.

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void QCTrace::writeHamiltonMatrix QCModelMatrices matrices  ) 
 

Definition at line 126 of file QCTrace.cpp.

References _outTrace, _traceOn, QCModelMatrices::getHamiltonH(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE.

Referenced by QCDCAlgo::optimalDamping().

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void QCTrace::writeMsg const std::string &  msg  )  [inline]
 

Method to write a message (sentence) in the file of trace.

Definition at line 59 of file QCTrace.hpp.

References _outTrace, and _traceOn.

Referenced by QCDCAlgo::optimalDamping().

void QCTrace::writeReducedDensityMatrix  ) 
 

Definition at line 61 of file QCTrace.cpp.

References _matrices, _outTrace, _traceOn, QCMatElemGtr< TPMatrix >::getMatrix(), QCModelMatrices::getWeightedDensityP(), QCSymMatrix::print(), and QC_TRACE.

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void QCTrace::writeReducedDensityMatrix QCModelMatrices matrices  ) 
 

Definition at line 47 of file QCTrace.cpp.

References _outTrace, _traceOn, QCMatElemGtr< TPMatrix >::getMatrix(), QCModelMatrices::getWeightedDensityP(), QCSymMatrix::print(), and QC_TRACE.

Referenced by QCDCAlgo::optimalDamping().

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template<class T>
void QCTrace::writeVal const std::string &  msg,
const T &  val
[inline]
 

Method to write a message (sentence) in the file of trace.

Definition at line 65 of file QCTrace.hpp.

References _outTrace, and _traceOn.

Referenced by QCMDSystem< TPSolver >::completeFockMatricesAndElecEnergy(), and QCDCAlgo::optimalDamping().


Member Data Documentation

QCModelMatrices* QCTrace::_matrices [private]
 

Pointer on the unknowns.

Definition at line 87 of file QCTrace.hpp.

Referenced by initModel(), writeDensityMatrix(), writeEigenValue(), writeEigenValuesAndEigenVectors(), writeFockMatrix(), writeHamiltonMatrix(), and writeReducedDensityMatrix().

ofstream QCTrace::_outTrace [private]
 

The stream on a file.

Definition at line 85 of file QCTrace.hpp.

Referenced by init(), writeArray(), writeDensityMatrix(), writeEigenValue(), writeEigenValuesAndEigenVectors(), writeFockMatrix(), writeHamiltonMatrix(), writeMsg(), writeReducedDensityMatrix(), writeVal(), and ~QCTrace().

bool QCTrace::_traceOn [private]
 

variale to know if we write information when QCTrace methods are called

Definition at line 83 of file QCTrace.hpp.

Referenced by traceOff(), traceOn(), writeArray(), writeDensityMatrix(), writeEigenValue(), writeEigenValuesAndEigenVectors(), writeFockMatrix(), writeHamiltonMatrix(), writeMsg(), writeReducedDensityMatrix(), and writeVal().


The documentation for this class was generated from the following files:
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