#include <QCIntgReader.hpp>
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 |
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Definition at line 29 of file QCIntgReader.cpp. |
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Definition at line 40 of file QCIntgReader.cpp. References closeFile(). Here is the call graph for this function: ![]() |
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Definition at line 82 of file QCIntgReader.cpp. References cinput, and filename. Referenced by ~QCIntgReader(). |
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Load of the inter-electronic repulsion integrals from hard drive. Definition at line 67 of file QCIntgReader.hpp. References cinput. Referenced by QCRepInterElec::computeElems(). |
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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(). Here is the call graph for this function: ![]() |
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Definition at line 63 of file QCIntgReader.hpp. References cinput. Referenced by QCMDSystem< TPSolver >::completeFockMatricesAndElecEnergy(). |
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Definition at line 93 of file QCIntgReader.hpp. Referenced by closeFile(), loadIntegrals(), openFile(), and rewindFile(). |
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Definition at line 89 of file QCIntgReader.hpp. Referenced by closeFile(), and openFile(). |
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Definition at line 85 of file QCIntgReader.hpp. Referenced by openFile(). |