allocateMatrix(const int &dimMatrix) | QCMatElemGtr< TPMatrix > | |
computeElems(QCMemory &__restrict__ memory, const int nbElecOfSystem, QCMatElemGtr< TPMatrix2 > &__restrict__ eigenVectC) | QCDensityGtr< TPMatrix > | |
computeElems(QCMemory &QCRestrict memory, const int nbElecOfSystem, QCMatElemGtr< TPMatrix2 > &QCRestrict eigenVectC) | QCDensityGtr< TPMatrix > | |
computeElemsDC(QCMemory &__restrict__ memory, const int nbFilledOM, const int nbOccupiedOM, const int nbAOCoreShell1, const QCFloat *__restrict__ orbitalOccupN, QCMatElemGtr< TPMatrix2 > &__restrict__ eigenVectCt) | QCDensityGtr< TPMatrix > | |
computeElemsDC(QCMemory &QCRestrict memory, const int nbFilledOM, const int nbOccupiedOM, const int nbAOCoreShell1, const QCFloat *QCRestrict orbitalOccupN, QCMatElemGtr< TPMatrix2 > &QCRestrict eigenVectCt) | QCDensityGtr< TPMatrix > | |
copyMatrix(QCMatElemGtr< TPMatrix2 > &otherGtr) | QCMatElemGtr< TPMatrix > | [inline] |
deltaElemMax(QCMatElemGtr< TPMatrix > &otherGtr) const | QCMatElemGtr< TPMatrix > | [inline] |
deltaElemMax(TPMatrix &otherMatrix) const | QCMatElemGtr< TPMatrix > | [inline] |
getMatrix(void) | QCMatElemGtr< TPMatrix > | [inline] |
giveBackTmpMem(QCMemory &__restrict__ memoryInst) | QCMatElemGtr< TPMatrix > | [inline] |
init(void) | QCMatElemGtr< TPMatrix > | |
initDiag(TPManager &manager, typename TPManager::TSystem::QCIterator &iter) | QCDensityGtr< TPMatrix > | |
matrix | QCMatElemGtr< TPMatrix > | [protected] |
mergeDensity(const TPParam *__restrict__ parameters, QCSubDomain &__restrict__ workingDomain, QCSubDomain &__restrict__ remoteDomain, QCSymMatrix &__restrict__ remWeightedDensity, int remoteMapIdx, QCMatrix &__restrict__ wDensityAB, QCMatrix &__restrict__ interPAB, QCSymMatrix &__restrict__ wDensityAA) | QCDensityGtr< TPMatrix > | |
mergeDensity(const TPParam *QCRestrict parameters, QCSubDomain &QCRestrict workingDomain, QCSubDomain &QCRestrict remoteDomain, QCSymMatrix &QCRestrict remWeightedDensity, int remoteMapIdx, QCMatrix &QCRestrict wDensityAB, QCMatrix &QCRestrict interPAB, QCSymMatrix &QCRestrict wDensityAA) | QCDensityGtr< TPMatrix > | |
QCDensityGtr(void) | QCDensityGtr< TPMatrix > | |
QCDensityGtr(int dimMatrix) | QCDensityGtr< TPMatrix > | |
QCMatElemGtr(void) | QCMatElemGtr< TPMatrix > | |
QCMatElemGtr(const int &dim) | QCMatElemGtr< TPMatrix > | |
sizeMatrix(const int &dimMatrix) | QCMatElemGtr< TPMatrix > | |
swapMatrix(QCDensityGtr< TPMatrix2 > &densityP) | QCDensityGtr< TPMatrix > | [inline] |
trace(void) const | QCMatElemGtr< TPMatrix > | [inline] |
traceProduct(QCMatElemGtr< TPMatrix2 > &otherGtr) const | QCMatElemGtr< TPMatrix > | [inline] |
writeTransEigenvectMatrix(TPManager &managerInst, const string &resultFileName) const | QCMatElemGtr< TPMatrix > | |
~QCDensityGtr(void) | QCDensityGtr< TPMatrix > | [virtual] |
~QCMatElemGtr(void) | QCMatElemGtr< TPMatrix > | [virtual] |