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::PPEXSIData | inline |
EnergyDensityMatrix() | PEXSI::PPEXSIData | inline |
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::PPEXSIData | inline |
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 |