QCOverlapGtr< TPMatrix > Member List

This is the complete list of members for QCOverlapGtr< TPMatrix >, including all inherited members.

allocateMatrix(const int &dimMatrix)QCMatElemGtr< TPMatrix >
computeDerivatives(TPManager &managerInst, typename TPManager::TSystem::QCIterator &workingSystem, const QCPoint3D &shift, const QCFloat &__restrict__ inv2DeltaQ=QC_ZERO)QCOverlapGtr< TPMatrix >
computeDerivatives(TPManager &manager, typename TPManager::TSystem::QCIterator &workingSystem, const QCPoint3D &shift, const QCFloat &QCRestrict inv2DeltaQ)QCOverlapGtr< TPMatrix >
computeElems(TPManager &manager, typename TPManager::TSystem::QCIterator &workingSystem, const QCPoint3D &shift=QC_ORIGIN3D)QCOverlapGtr< TPMatrix >
computeElems(const TPParam *__restrict__ parameters, const QCSystem &__restrict__ system, QCMatrix &__restrict__ overlapSAB, int nbMaxOrbTypes, const QCPoint3D &__restrict__ shift=QC_ORIGIN3D)QCOverlapGtr< TPMatrix >
computeElems(const TPParam *QCRestrict parameters, const QCSystem &QCRestrict system, QCMatrix &QCRestrict overlapSAB, int nbMaxOrbTypes, const QCPoint3D &QCRestrict shift)QCOverlapGtr< TPMatrix >
computeElemsAux(const QCPoint3D &__restrict__ coordsA, const TPParam &__restrict__ paramA, int expHalfIndexA, const QCPoint3D &__restrict__ coordsB, const TPParam &__restrict__ paramB, int expHalfIndexB, QCMatrix &__restrict__ overlapSAB, const QCPoint3D &shift=QC_ORIGIN3D)QCOverlapGtr< TPMatrix >
computeElemsAux(const QCPoint3D &QCRestrict coordsA, const TPParam &QCRestrict paramA, int expHalfIndexA, const QCPoint3D &QCRestrict coordsB, const TPParam &QCRestrict paramB, int expHalfIndexB, QCMatrix &QCRestrict overlapSAB, const QCPoint3D &shift)QCOverlapGtr< TPMatrix >
copyMatrix(QCMatElemGtr< TPMatrix2 > &otherGtr)QCMatElemGtr< TPMatrix > [inline]
deltaElemMax(QCMatElemGtr< TPMatrix > &otherGtr) const QCMatElemGtr< TPMatrix > [inline]
deltaElemMax(TPMatrix &otherMatrix) const QCMatElemGtr< TPMatrix > [inline]
DestroyExpHalfVector(void)QCOverlapGtr< TPMatrix > [static]
ExpHalfVectorQCOverlapGtr< TPMatrix > [private, static]
FillDzetaVector(const TPParam *__restrict__ params, const int &nbParameters, const int &nbMaxOrbTypes, QCFloat *__restrict__ dzetaVector)QCOverlapGtr< TPMatrix > [private, static]
FillDzetaVector(const TPParam *QCRestrict params, const int &nbParameters, const int &nbMaxOrbTypes, QCFloat *QCRestrict dzetaVector)QCOverlapGtr< TPMatrix >
FillExpHalfVector(TPManager &manager)QCOverlapGtr< TPMatrix > [static]
FillQuantNumNVector(const TPParam *__restrict__ params, const int &nbParameter, int *__restrict__ quantNumNVectors)QCOverlapGtr< TPMatrix > [private, static]
FillQuantNumNVector(const TPParam *QCRestrict params, const int &nbParameters, int *QCRestrict quantNumNVector)QCOverlapGtr< TPMatrix >
getMatrix(void)QCMatElemGtr< TPMatrix > [inline]
giveBackTmpMem(QCMemory &__restrict__ memoryInst)QCMatElemGtr< TPMatrix > [inline]
init(void)QCMatElemGtr< TPMatrix >
matrixQCMatElemGtr< TPMatrix > [protected]
QCMatElemGtr(void)QCMatElemGtr< TPMatrix >
QCMatElemGtr(const int &dim)QCMatElemGtr< TPMatrix >
QCOverlapGtr(void)QCOverlapGtr< TPMatrix >
QCOverlapGtr(const int &dim)QCOverlapGtr< TPMatrix >
sizeMatrix(const int &dimMatrix)QCMatElemGtr< TPMatrix >
trace(void) const QCMatElemGtr< TPMatrix > [inline]
traceProduct(QCMatElemGtr< TPMatrix2 > &otherGtr) const QCMatElemGtr< TPMatrix > [inline]
writeTransEigenvectMatrix(TPManager &managerInst, const string &resultFileName) const QCMatElemGtr< TPMatrix >
~QCMatElemGtr(void)QCMatElemGtr< TPMatrix > [virtual]
~QCOverlapGtr(void)QCOverlapGtr< TPMatrix > [virtual]


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