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] |
ExpHalfVector | QCOverlapGtr< 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 > | |
matrix | QCMatElemGtr< 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] |