#include <QCTrace.hpp>
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 |
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Definition at line 18 of file QCTrace.cpp. |
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Definition at line 21 of file QCTrace.cpp. References _outTrace. |
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Definition at line 26 of file QCTrace.cpp. References _outTrace. Referenced by main(). |
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Definition at line 43 of file QCTrace.hpp. References _matrices. Referenced by main(). |
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Definition at line 40 of file QCTrace.hpp. References _traceOn. Referenced by main(), and QCDCAlgo::optimalDamping(). |
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Definition at line 38 of file QCTrace.hpp. References _traceOn. Referenced by QCDCAlgo::optimalDamping(). |
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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. |
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Method to write an array (val) of size dim in the file of trace. Definition at line 71 of file QCTrace.hpp. |
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Definition at line 54 of file QCTrace.cpp. References _matrices, _outTrace, _traceOn, QCModelMatrices::getDensityP(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE. Here is the call graph for this function: ![]() |
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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(). Here is the call graph for this function: ![]() |
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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. Here is the call graph for this function: ![]() |
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Definition at line 69 of file QCTrace.cpp. References _outTrace, _traceOn, QCMatrix::getDim(), QCModelMatrices::getEigenVal(), QCModelMatrices::getFockF(), QCMatElemGtr< TPMatrix >::getMatrix(), QC_TRACE, and QCRestrict. Here is the call graph for this function: ![]() |
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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(). Here is the call graph for this function: ![]() |
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Definition at line 118 of file QCTrace.cpp. References _matrices, _outTrace, _traceOn, QCModelMatrices::getFockF(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE. Here is the call graph for this function: ![]() |
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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(). Here is the call graph for this function: ![]() |
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Definition at line 133 of file QCTrace.cpp. References _matrices, _outTrace, _traceOn, QCModelMatrices::getHamiltonH(), QCMatElemGtr< TPMatrix >::getMatrix(), QCSymMatrix::print(), and QC_TRACE. Here is the call graph for this function: ![]() |
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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(). Here is the call graph for this function: ![]() |
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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(). |
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Definition at line 61 of file QCTrace.cpp. References _matrices, _outTrace, _traceOn, QCMatElemGtr< TPMatrix >::getMatrix(), QCModelMatrices::getWeightedDensityP(), QCSymMatrix::print(), and QC_TRACE. Here is the call graph for this function: ![]() |
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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(). Here is the call graph for this function: ![]() |
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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(). |
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Pointer on the unknowns.
Definition at line 87 of file QCTrace.hpp. Referenced by initModel(), writeDensityMatrix(), writeEigenValue(), writeEigenValuesAndEigenVectors(), writeFockMatrix(), writeHamiltonMatrix(), and writeReducedDensityMatrix(). |
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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(). |
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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(). |