#include <QCIntgWriter.hpp>
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 |
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Definition at line 28 of file QCIntgWriter.cpp. |
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Definition at line 36 of file QCIntgWriter.cpp. References closeFile(). Here is the call graph for this function: ![]() |
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Definition at line 72 of file QCIntgWriter.cpp. References coutput, and filename. Referenced by QCModelMatrices::prepareIterations(), and ~QCIntgWriter(). |
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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(). Here is the call graph for this function: ![]() |
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Storage of the inter-electronic repulsion integrals on hard drive. Definition at line 63 of file QCIntgWriter.hpp. References coutput. Referenced by QCRepInterElec::computeElems(). |
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Definition at line 96 of file QCIntgWriter.hpp. Referenced by closeFile(), openFile(), and storeIntegrals(). |
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Definition at line 92 of file QCIntgWriter.hpp. Referenced by closeFile(), and openFile(). |
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Definition at line 66 of file QCIntgWriter.hpp. Referenced by openFile(). |