cgPRPNonLinearSolver(const unsigned int maxNumberIterations, const unsigned int debugLevel, const MPI_Comm &mpi_comm_parent, const double lineSearchTolerance=1.0e-6, const unsigned int lineSearchMaxIterations=10, const double lineSeachDampingParameter=1.0, const double maxIncrementSolLinf=1e+6, const bool isCurvatureOnlyLineSearchStoppingCondition=false) | dftfe::cgPRPNonLinearSolver | |
computeDeltaD() | dftfe::cgPRPNonLinearSolver | private |
computeDeltas() | dftfe::cgPRPNonLinearSolver | private |
computeEta() | dftfe::cgPRPNonLinearSolver | private |
computeResidualL2Norm() const | dftfe::cgPRPNonLinearSolver | private |
computeTotalNumberUnknowns() const | dftfe::cgPRPNonLinearSolver | private |
d_alphaChk | dftfe::cgPRPNonLinearSolver | private |
d_beta | dftfe::cgPRPNonLinearSolver | private |
d_conjugateDirection | dftfe::cgPRPNonLinearSolver | private |
d_debugLevel | dftfe::nonLinearSolver | protected |
d_deltaMid | dftfe::cgPRPNonLinearSolver | private |
d_deltaNew | dftfe::cgPRPNonLinearSolver | private |
d_deltaOld | dftfe::cgPRPNonLinearSolver | private |
d_eta | dftfe::cgPRPNonLinearSolver | private |
d_etaAlphaZeroChk | dftfe::cgPRPNonLinearSolver | private |
d_etaChk | dftfe::cgPRPNonLinearSolver | private |
d_etaPChk | dftfe::cgPRPNonLinearSolver | private |
d_functionalValueAfterAlphUpdateChk | dftfe::cgPRPNonLinearSolver | private |
d_functionValueChk | dftfe::cgPRPNonLinearSolver | private |
d_gradient | dftfe::cgPRPNonLinearSolver | private |
d_gradMax | dftfe::cgPRPNonLinearSolver | private |
d_isCGRestartDueToLargeIncrement | dftfe::cgPRPNonLinearSolver | private |
d_isCurvatureOnlyLineSearchStoppingCondition | dftfe::cgPRPNonLinearSolver | private |
d_iter | dftfe::cgPRPNonLinearSolver | private |
d_lineSearchDampingParameter | dftfe::cgPRPNonLinearSolver | private |
d_lineSearchMaxIterations | dftfe::cgPRPNonLinearSolver | private |
d_lineSearchRestartIterChk | dftfe::cgPRPNonLinearSolver | private |
d_lineSearchTolerance | dftfe::cgPRPNonLinearSolver | private |
d_maxNumberIterations | dftfe::nonLinearSolver | protected |
d_maxSolutionIncrementLinf | dftfe::cgPRPNonLinearSolver | private |
d_numberUnknowns | dftfe::cgPRPNonLinearSolver | private |
d_steepestDirectionOld | dftfe::cgPRPNonLinearSolver | private |
d_tolerance | dftfe::nonLinearSolver | protected |
d_unknownCountFlag | dftfe::cgPRPNonLinearSolver | private |
d_useSingleAtomSolutionsInitialGuess | dftfe::cgPRPNonLinearSolver | private |
FAILURE enum value | dftfe::nonLinearSolver | |
getDebugLevel() const | dftfe::nonLinearSolver | protected |
getMaximumNumberIterations() const | dftfe::nonLinearSolver | protected |
getTolerance() const | dftfe::nonLinearSolver | protected |
initializeDirection() | dftfe::cgPRPNonLinearSolver | private |
lineSearch(nonlinearSolverProblem &problem, const double tolerance, const unsigned int maxNumberIterations, const unsigned int debugLevel, const std::string checkpointFileName="", const int startingIter=-1, const bool isCheckpointRestart=false) | dftfe::cgPRPNonLinearSolver | private |
LINESEARCH_FAILED enum value | dftfe::nonLinearSolver | |
load(const std::string &checkpointFileName) | dftfe::cgPRPNonLinearSolver | private |
MAX_ITER_REACHED enum value | dftfe::nonLinearSolver | |
mpi_communicator | dftfe::cgPRPNonLinearSolver | private |
n_mpi_processes | dftfe::cgPRPNonLinearSolver | private |
nonLinearSolver(const unsigned int debugLevel, const unsigned int maxNumberIterations, const double tolerance=0) | dftfe::nonLinearSolver | protected |
pcout | dftfe::cgPRPNonLinearSolver | private |
RESTART enum value | dftfe::nonLinearSolver | |
ReturnValueType enum name | dftfe::nonLinearSolver | |
save(const std::string &checkpointFileName) | dftfe::cgPRPNonLinearSolver | virtual |
solve(nonlinearSolverProblem &problem, const std::string checkpointFileName="", const bool restart=false) | dftfe::cgPRPNonLinearSolver | virtual |
SUCCESS enum value | dftfe::nonLinearSolver | |
this_mpi_process | dftfe::cgPRPNonLinearSolver | private |
updateDirection() | dftfe::cgPRPNonLinearSolver | private |
updateSolution(const double alpha, const std::vector< double > &direction, nonlinearSolverProblem &problem) | dftfe::cgPRPNonLinearSolver | private |
~cgPRPNonLinearSolver() | dftfe::cgPRPNonLinearSolver | |
~nonLinearSolver()=0 | dftfe::nonLinearSolver | pure virtual |