PEXSI::PPEXSIData Member List

This is the complete list of members for PEXSI::PPEXSIData, including all inherited members.

CalculateFermiOperatorComplex(Int numPole, Real temperature, Real gap, Real deltaE, Real mu, Real numElectronExact, Real numElectronTolerance, Int solver, Int verbosity, Real &numElectron, Real &numElectronDrvMu)	PEXSI::PPEXSIData
CalculateFermiOperatorReal(Int numPole, Real temperature, Real gap, Real deltaE, Real mu, Real numElectronExact, Real numElectronTolerance, Int solver, Int verbosity, Real &numElectron, Real &numElectronDrvMu)	PEXSI::PPEXSIData
CalculateFermiOperatorReal2(Int numPole, Real temperature, Real gap, Real deltaE, Real numElectronExact, Real numElectronTolerance, Real muMinPEXSI, Real muMaxPEXSI, Int solver, Int verbosity, Real &mu, Real &numElectron, bool &isPEXSIConverged)	PEXSI::PPEXSIData
CalculateNegativeInertiaComplex(const std::vector< Real > &shiftVec, std::vector< Real > &inertiaVec, Int solver, Int verbosity)	PEXSI::PPEXSIData
CalculateNegativeInertiaReal(const std::vector< Real > &shiftVec, std::vector< Real > &inertiaVec, Int solver, Int verbosity)	PEXSI::PPEXSIData
DFTDriver(Real numElectronExact, Real temperature, Real gap, Real deltaE, Int numPole, Int isInertiaCount, Int maxPEXSIIter, Real muMin0, Real muMax0, Real mu0, Real muInertiaTolerance, Real muInertiaExpansion, Real muPEXSISafeGuard, Real numElectronPEXSITolerance, Int matrixType, Int isSymbolicFactorize, Int solver, Int ordering, Int numProcSymbFact, Int verbosity, Real &muPEXSI, Real &numElectronPEXSI, Real &muMinInertia, Real &muMaxInertia, Int &numTotalInertiaIter, Int &numTotalPEXSIIter)	PEXSI::PPEXSIData
DFTDriver2(Real numElectronExact, Real temperature, Real gap, Real deltaE, Int numPole, Int isInertiaCount, Real muMin0, Real muMax0, Real mu0, Real muInertiaTolerance, Real muInertiaExpansion, Real numElectronPEXSITolerance, Int matrixType, Int isSymbolicFactorize, Int solver, Int ordering, Int numProcSymbFact, Int verbosity, Real &muPEXSI, Real &numElectronPEXSI, Real &muMinInertia, Real &muMaxInertia, Int &numTotalInertiaIter)	PEXSI::PPEXSIData
EnergyDensityComplexMat() const (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData	inline
EnergyDensityRealMat() const	PEXSI::PPEXSIData	inline
FreeEnergyDensityComplexMat() const (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData	inline
FreeEnergyDensityRealMat() const	PEXSI::PPEXSIData	inline
GridPole() const (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData	inline
LoadComplexMatrix(Int nrows, Int nnz, Int nnzLocal, Int numColLocal, Int *colptrLocal, Int *rowindLocal, Complex *HnzvalLocal, Int isSIdentity, Complex *SnzvalLocal, Int solver, Int verbosity) (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData
LoadRealMatrix(Int nrows, Int nnz, Int nnzLocal, Int numColLocal, Int *colptrLocal, Int *rowindLocal, Real *HnzvalLocal, Int isSIdentity, Real *SnzvalLocal, Int solver, Int verbosity) (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData
PPEXSIData(MPI_Comm comm, Int numProcRow, Int numProcCol, Int outputFileIndex) (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData
RhoComplexMat() const (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData	inline
RhoRealMat() const	PEXSI::PPEXSIData	inline
SelInvComplexSymmetricMatrix(Int solver, double *AnzvalLocal, Int verbosity, double *AinvnzvalLocal) (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData
SelInvComplexUnsymmetricMatrix(Int solver, double *AnzvalLocal, Int verbosity, double *AinvnzvalLocal) (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData
SelInvRealSymmetricMatrix(Int solver, double *AnzvalLocal, Int verbosity, double *AinvnzvalLocal) (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData
SelInvRealUnsymmetricMatrix(Int solver, double *AnzvalLocal, Int verbosity, double *AinvnzvalLocal) (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData
SymbolicFactorizeComplexSymmetricMatrix(Int solver, std::string ColPerm, Int numProcSymbFact, Int verbosity)	PEXSI::PPEXSIData
SymbolicFactorizeComplexUnsymmetricMatrix(Int solver, std::string ColPerm, std::string RowPerm, Int numProcSymbFact, Int Transpose, double *AnzvalLocal, Int verbosity)	PEXSI::PPEXSIData
SymbolicFactorizeRealSymmetricMatrix(Int solver, std::string ColPerm, Int numProcSymbFact, Int verbosity)	PEXSI::PPEXSIData
SymbolicFactorizeRealUnsymmetricMatrix(Int solver, std::string ColPerm, std::string RowPerm, Int numProcSymbFact, Int Transpose, double *AnzvalLocal, Int verbosity)	PEXSI::PPEXSIData
TotalEnergyH() const (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData	inline
TotalEnergyS() const (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData	inline
TotalFreeEnergy() const (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData	inline
~PPEXSIData() (defined in PEXSI::PPEXSIData)	PEXSI::PPEXSIData