QCMacro.hpp File Reference

#include "config.h"
#include "QCCommon.hpp"

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Defines

#define MYRANK   ""
#define QC_OUTPUT_DENSITY_CONTRIB
#define QC_OUTPUT_FOCK_CONTRIB
#define QC_OUTPUT_HAMILTON_CONTRIB
#define QC_TRACE(a)
#define QC_TRACE_DENSITY(a)
#define QC_TRACE_END(a)
#define QC_TRACE_ENER(a)
#define QC_TRACE_INIT(a)
#define QC_TRACE_MPI(a)
#define QC_TRACE_OUT(a)
#define QC_TRACE_PART(a)
#define QC_TRACE_SCF(a)
#define QC_VERBOSE_GNUPLOT
#define QC_VERBOSE_SCF


Define Documentation

#define MYRANK   ""
 

Definition at line 29 of file QCMacro.hpp.

#define QC_OUTPUT_DENSITY_CONTRIB
 

Definition at line 72 of file QCMacro.hpp.

#define QC_OUTPUT_FOCK_CONTRIB
 

Definition at line 73 of file QCMacro.hpp.

#define QC_OUTPUT_HAMILTON_CONTRIB
 

Definition at line 74 of file QCMacro.hpp.

#define QC_TRACE  ) 
 

Definition at line 97 of file QCMacro.hpp.

#define QC_TRACE_DENSITY  ) 
 

Definition at line 139 of file QCMacro.hpp.

Referenced by QCMDSystem< TPSolver >::completeDensityMatrices().

#define QC_TRACE_END  ) 
 

Definition at line 116 of file QCMacro.hpp.

Referenced by QCAtoms::~QCAtoms(), QCFiles::~QCFiles(), QCGeneralData::~QCGeneralData(), QCManager< TPModel, TPSystem >::~QCManager(), QCMDSystem< TPSolver >::~QCMDSystem(), QCPartitioner< TPSystem >::~QCPartitioner(), QCSubDomain::~QCSubDomain(), and QCSystem::~QCSystem().

#define QC_TRACE_ENER  ) 
 

Definition at line 131 of file QCMacro.hpp.

#define QC_TRACE_INIT  ) 
 

Definition at line 103 of file QCMacro.hpp.

#define QC_TRACE_MPI  ) 
 

Definition at line 152 of file QCMacro.hpp.

#define QC_TRACE_OUT  ) 
 

Definition at line 109 of file QCMacro.hpp.

Referenced by QCMDSystem< TPSolver >::writeDensityOnFileAscii(), QCGlobalSystem< TPSolver >::writeDensityOnFileAscii(), QCGlobalSystem< TPSolver >::writeDensityOnFileBinary(), QCPartitioner< TPSystem >::writeHeader(), QCPartitioner< TPSystem >::writeInFile(), QCSubDomain::writeInFileNew(), QCPartitioner< TPSystem >::writeInFileNew(), QCPartitioner< TPSystem >::writeInFileOLD(), QCPartitioner< TPSystem >::writeInFileVTK(), QCMDSystem< TPSolver >::writeLocalDensityOnFilesAscii(), QCMDSystem< TPSolver >::writeOrbitalPartition(), QCPartitioner< TPSystem >::writeSubDomainVTK(), QCMDSystem< TPSolver >::writeSystemOnFile(), and QCGlobalSystem< TPSolver >::writeSystemOnFile().

#define QC_TRACE_PART  ) 
 

Definition at line 123 of file QCMacro.hpp.

#define QC_TRACE_SCF  ) 
 

Definition at line 146 of file QCMacro.hpp.

#define QC_VERBOSE_GNUPLOT
 

Definition at line 66 of file QCMacro.hpp.

#define QC_VERBOSE_SCF
 

Definition at line 65 of file QCMacro.hpp.


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