QCIntgWriter Class Reference

#include <QCIntgWriter.hpp>

List of all members.


Detailed Description

class QCIntgWriter

Definition at line 35 of file QCIntgWriter.hpp.

Public Member Functions

void closeFile (void)
void openFile (const string filename, const char *mode, const string path="")
 QCIntgWriter (void)
void storeIntegrals (const QCFloat *integrals, const size_t sizeofIntegral, const int &nbIntegrals) const
 ~QCIntgWriter (void)

Private Attributes

FILE * coutput
string filename
string outputPath


Constructor & Destructor Documentation

QCIntgWriter::QCIntgWriter void   ) 
 

Definition at line 28 of file QCIntgWriter.cpp.

QCIntgWriter::~QCIntgWriter void   ) 
 

Definition at line 36 of file QCIntgWriter.cpp.

References closeFile().

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Member Function Documentation

void QCIntgWriter::closeFile void   ) 
 

Definition at line 72 of file QCIntgWriter.cpp.

References coutput, and filename.

Referenced by QCModelMatrices::prepareIterations(), and ~QCIntgWriter().

void QCIntgWriter::openFile const string  name,
const char *  mode,
const string  path = ""
 

FIXME: already opened

FIXME: error management

Definition at line 48 of file QCIntgWriter.cpp.

References coutput, filename, outputPath, and PATH_SEPARATOR().

Referenced by QCModelMatrices::buildMatrices().

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void QCIntgWriter::storeIntegrals const QCFloat integrals,
const size_t  sizeofIntegral,
const int &  nbIntegrals
const [inline]
 

Storage of the inter-electronic repulsion integrals on hard drive.

Definition at line 63 of file QCIntgWriter.hpp.

References coutput.

Referenced by QCRepInterElec::computeElems().


Member Data Documentation

FILE* QCIntgWriter::coutput [private]
 

Definition at line 96 of file QCIntgWriter.hpp.

Referenced by closeFile(), openFile(), and storeIntegrals().

string QCIntgWriter::filename [private]
 

Definition at line 92 of file QCIntgWriter.hpp.

Referenced by closeFile(), and openFile().

string QCIntgWriter::outputPath [private]
 

Definition at line 66 of file QCIntgWriter.hpp.

Referenced by openFile().


The documentation for this class was generated from the following files:
Generated on Sat Jan 28 21:07:33 2006 for QC++ by  doxygen 1.4.4