QCRepInterElec Member List

This is the complete list of members for QCRepInterElec, including all inherited members.

allocateMatrix(const int &dimMatrix)QCMatElemGtr< QCMatrix >
allocIntgReader(void)QCRepInterElec
allocIntgWriter(void)QCRepInterElec
computeDerivatives(const TPParam *__restrict__ parameterA, const TPParam *__restrict__ parameterB, QCRepInterElec &__restrict__ workingIntg, QCDerivationType derivationType, const QCPoint3D &coordsA, const QCPoint3D &coordsB, const QCPoint3D &shift, bool ssACalc=false, bool ssBCalc=false, const QCFloat &__restrict__ inv2DeltaQ=QC_ZERO)QCRepInterElec
computeDerivatives(const TPParam *QCRestrict parameterA, const TPParam *QCRestrict parameterB, QCRepInterElec &QCRestrict workingIntg, QCDerivationType derivationType, const QCPoint3D &QCRestrict coordsA, const QCPoint3D &QCRestrict coordsB, const QCPoint3D &shift, bool ssACalc, bool ssBCalc, const QCFloat &QCRestrict inv2DeltaQ)QCRepInterElec
computeElems(const TPParam *__restrict__ parameterA, const TPParam *__restrict__ parameterB, const QCPoint3D &__restrict__ coordsA, const QCPoint3D &__restrict__ coordsB, QCFloat rAB, bool ssACalc, bool ssBCalc, bool compressedFormat=false, const QCIntgAcquisitionMethod &intgAcquisitionMethod=QC_DIRECT_COMPUTATION, bool isItfirstCall=false)QCRepInterElec
computeElems(const TPParam *QCRestrict parameterA, const TPParam *QCRestrict parameterB, const QCPoint3D &QCRestrict coordsA, const QCPoint3D &QCRestrict coordsB, QCFloat rAB, bool ssACalc, bool ssBCalc, bool compressedFormat, const QCIntgAcquisitionMethod &intgAcquisitionMethod, bool isItfirstCall)QCRepInterElec
copyMatrix(QCMatElemGtr< TPMatrix2 > &otherGtr)QCMatElemGtr< QCMatrix > [inline]
deltaElemMax(QCMatElemGtr< QCMatrix > &otherGtr) const QCMatElemGtr< QCMatrix > [inline]
deltaElemMax(QCMatrix &otherMatrix) const QCMatElemGtr< QCMatrix > [inline]
expandOverDim16(const int &nbAOofA, const int &nbAOofB)QCRepInterElec
getIntgReader(void) const QCRepInterElec [inline]
getIntgTmpFile(void) const QCRepInterElec [inline]
getIntgWriter(void) const QCRepInterElec [inline]
getMatrix(void)QCMatElemGtr< QCMatrix > [inline]
giveBackTmpMem(QCMemory &__restrict__ memoryInst)QCMatElemGtr< QCMatrix > [inline]
init(void)QCMatElemGtr< QCMatrix >
intgReaderQCRepInterElec [private]
intgTmpFileQCRepInterElec [private]
intgWriterQCRepInterElec [private]
matrixQCMatElemGtr< QCMatrix > [protected]
QCMatElemGtr(void)QCMatElemGtr< QCMatrix >
QCMatElemGtr(const int &dim)QCMatElemGtr< QCMatrix >
QCRepInterElec(const int &dim)QCRepInterElec
setIntgTmpFile(const string &extFile)QCRepInterElec [inline]
sizeMatrix(const int &dimMatrix)QCMatElemGtr< QCMatrix >
trace(void) const QCMatElemGtr< QCMatrix > [inline]
traceProduct(QCMatElemGtr< TPMatrix2 > &otherGtr) const QCMatElemGtr< QCMatrix > [inline]
writeTransEigenvectMatrix(TPManager &managerInst, const string &resultFileName) const QCMatElemGtr< QCMatrix >
~QCMatElemGtr(void)QCMatElemGtr< QCMatrix > [virtual]
~QCRepInterElec(void)QCRepInterElec [virtual]


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