PEXSI
 All Classes Namespaces Files Functions Variables Typedefs Pages
PEXSI::PPEXSIData Member List

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

CalculateFermiOperatorReal(Int numPole, Real temperature, Real gap, Real deltaE, Real mu, Real numElectronExact, Real numElectronTolerance, Int verbosity, Real &numElectron, Real &numElectronDrvMu)PEXSI::PPEXSIData
CalculateNegativeInertiaReal(const std::vector< Real > &shiftVec, std::vector< Real > &inertiaVec, 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 ordering, Int numProcSymbFact, Int verbosity, Real &muPEXSI, Real &numElectronPEXSI, Real &muMinInertia, Real &muMaxInertia, Int &numTotalInertiaIter, Int &numTotalPEXSIIter)PEXSI::PPEXSIData
EnergyDensityRealMat() const PEXSI::PPEXSIDatainline
FreeEnergyDensityRealMat() const PEXSI::PPEXSIDatainline
GridPole() const (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIDatainline
LoadRealSymmetricMatrix(Int nrows, Int nnz, Int nnzLocal, Int numColLocal, Int *colptrLocal, Int *rowindLocal, Real *HnzvalLocal, Int isSIdentity, Real *SnzvalLocal, Int verbosity) (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIData
PPEXSIData(MPI_Comm comm, Int numProcRow, Int numProcCol, Int outputFileIndex) (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIData
RhoRealMat() const PEXSI::PPEXSIDatainline
SelInvComplexSymmetricMatrix(double *AnzvalLocal, Int verbosity, double *AinvnzvalLocal) (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIData
SelInvRealSymmetricMatrix(double *AnzvalLocal, Int verbosity, double *AinvnzvalLocal) (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIData
SymbolicFactorizeComplexSymmetricMatrix(std::string ColPerm, Int numProcSymbFact, Int verbosity)PEXSI::PPEXSIData
SymbolicFactorizeRealSymmetricMatrix(std::string ColPerm, Int numProcSymbFact, Int verbosity)PEXSI::PPEXSIData
TotalEnergyH() const (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIDatainline
TotalEnergyS() const (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIDatainline
TotalFreeEnergy() const (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIDatainline
~PPEXSIData() (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIData