QCIntgReader Class Reference

#include <QCIntgReader.hpp>

List of all members.


Detailed Description

class QCIntgReader

Definition at line 35 of file QCIntgReader.hpp.

Public Member Functions

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

Private Attributes

FILE * cinput
string filename
string inputPath


Constructor & Destructor Documentation

QCIntgReader::QCIntgReader void   ) 
 

Definition at line 29 of file QCIntgReader.cpp.

QCIntgReader::~QCIntgReader void   ) 
 

Definition at line 40 of file QCIntgReader.cpp.

References closeFile().

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Member Function Documentation

void QCIntgReader::closeFile void   ) 
 

Definition at line 82 of file QCIntgReader.cpp.

References cinput, and filename.

Referenced by ~QCIntgReader().

void QCIntgReader::loadIntegrals QCFloat integrals,
const size_t  sizeofIntegral,
const int &  nbIntegrals
const [inline]
 

Load of the inter-electronic repulsion integrals from hard drive.

Definition at line 67 of file QCIntgReader.hpp.

References cinput.

Referenced by QCRepInterElec::computeElems().

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

FIXME: already opened

FIXME: error management

Definition at line 53 of file QCIntgReader.cpp.

References cinput, filename, inputPath, and PATH_SEPARATOR().

Referenced by QCModelMatrices::prepareIterations().

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void QCIntgReader::rewindFile void   )  const [inline]
 

Definition at line 63 of file QCIntgReader.hpp.

References cinput.

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


Member Data Documentation

FILE* QCIntgReader::cinput [private]
 

Definition at line 93 of file QCIntgReader.hpp.

Referenced by closeFile(), loadIntegrals(), openFile(), and rewindFile().

string QCIntgReader::filename [private]
 

Definition at line 89 of file QCIntgReader.hpp.

Referenced by closeFile(), and openFile().

string QCIntgReader::inputPath [private]
 

Definition at line 85 of file QCIntgReader.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