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PEXSI::PPEXSIData Member List

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

CalculateForce(const DistSparseMatrix< Real > &HDerivativeMat, const DistSparseMatrix< Real > &SDerivativeMat)PEXSI::PPEXSIData
CalculateFreeEnergy(const DistSparseMatrix< Real > &SMat)PEXSI::PPEXSIData
CalculateNegativeInertia(const std::vector< Real > &shiftVec, std::vector< Real > &inertiaVec, const DistSparseMatrix< Real > &HMat, const DistSparseMatrix< Real > &SMat, std::string ColPerm, Int numProcSymbFact)PEXSI::PPEXSIData
CalculateNegativeInertiaReal(const std::vector< Real > &shiftVec, std::vector< Real > &inertiaVec, const DistSparseMatrix< Real > &HMat, const DistSparseMatrix< Real > &SMat, std::string ColPerm, Int numProcSymbFact)PEXSI::PPEXSIData
CalculateNumElectron(const DistSparseMatrix< Real > &SMat)PEXSI::PPEXSIData
CalculateNumElectronDrvMu(const DistSparseMatrix< Real > &SMat)PEXSI::PPEXSIData
CalculateNumElectronDrvT(const DistSparseMatrix< Real > &SMat)PEXSI::PPEXSIData
CalculateTotalEnergy(const DistSparseMatrix< Real > &HMat)PEXSI::PPEXSIData
DensityMatrix()PEXSI::PPEXSIDatainline
EnergyDensityMatrix()PEXSI::PPEXSIDatainline
EstimateSpectralRadius(Int method, const DistSparseMatrix< Real > &HMat, const DistSparseMatrix< Real > &SMat, const NumVec< Real > &v0, Real tol, Int maxNumIter, Int &numIter, Real &sigma)PEXSI::PPEXSIData
EstimateZeroTemperatureChemicalPotential(Real temperature, Real mu, const DistSparseMatrix< Real > &SMat)PEXSI::PPEXSIData
FreeEnergyDensityMatrix()PEXSI::PPEXSIDatainline
PPEXSIData(const PEXSI::GridType *g, Int nprow, Int npcol) (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIData
Solve(Int numPole, Real temperature, Real numElectronExact, Real gap, Real deltaE, Real &mu, Real &muMin, Real &muMax, const DistSparseMatrix< Real > &HMat, const DistSparseMatrix< Real > &SMat, Int muMaxIter, Real numElectronTolerance, std::string ColPerm, Int numProcSymbFact, bool isFreeEnergyDensityMatrix, bool isEnergyDensityMatrix, bool isDerivativeTMatrix, std::vector< Real > &muList, std::vector< Real > &numElectronList, std::vector< Real > &numElectronDrvMuList, bool &isConverged)PEXSI::PPEXSIData
~PPEXSIData() (defined in PEXSI::PPEXSIData)PEXSI::PPEXSIData