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 > | |
intgReader | QCRepInterElec | [private] |
intgTmpFile | QCRepInterElec | [private] |
intgWriter | QCRepInterElec | [private] |
matrix | QCMatElemGtr< 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] |