checkWolfe() | dftfe::LBFGSNonLinearSolver | private |
computeHx(std::vector< double > &Hx) | dftfe::LBFGSNonLinearSolver | private |
computeStep() | dftfe::LBFGSNonLinearSolver | private |
computeStepScale(nonlinearSolverProblem &problem) | dftfe::LBFGSNonLinearSolver | private |
computeUpdateStep() | dftfe::LBFGSNonLinearSolver | private |
d_alpha | dftfe::LBFGSNonLinearSolver | private |
d_debugLevel | dftfe::nonLinearSolver | protected |
d_deltaGq | dftfe::LBFGSNonLinearSolver | private |
d_deltaX | dftfe::LBFGSNonLinearSolver | private |
d_deltaXNew | dftfe::LBFGSNonLinearSolver | private |
d_deltaXq | dftfe::LBFGSNonLinearSolver | private |
d_gradient | dftfe::LBFGSNonLinearSolver | private |
d_gradientNew | dftfe::LBFGSNonLinearSolver | private |
d_isCurvatureOnlyLineSearchStoppingCondition | dftfe::LBFGSNonLinearSolver | private |
d_iter | dftfe::LBFGSNonLinearSolver | private |
d_maxNumberIterations | dftfe::nonLinearSolver | protected |
d_maxNumPastSteps | dftfe::LBFGSNonLinearSolver | private |
d_maxStepLength | dftfe::LBFGSNonLinearSolver | private |
d_noHistory | dftfe::LBFGSNonLinearSolver | private |
d_normDeltaXnew | dftfe::LBFGSNonLinearSolver | private |
d_numberUnknowns | dftfe::LBFGSNonLinearSolver | private |
d_numPastSteps | dftfe::LBFGSNonLinearSolver | private |
d_preconditioner | dftfe::LBFGSNonLinearSolver | private |
d_rhoq | dftfe::LBFGSNonLinearSolver | private |
d_stepAccepted | dftfe::LBFGSNonLinearSolver | private |
d_tolerance | dftfe::nonLinearSolver | protected |
d_updateVector | dftfe::LBFGSNonLinearSolver | private |
d_usePreconditioner | dftfe::LBFGSNonLinearSolver | private |
d_useSingleAtomSolutionsInitialGuess | dftfe::LBFGSNonLinearSolver | private |
d_value | dftfe::LBFGSNonLinearSolver | private |
d_valueNew | dftfe::LBFGSNonLinearSolver | private |
d_wolfeCurvature | dftfe::LBFGSNonLinearSolver | private |
d_wolfeSatisfied | dftfe::LBFGSNonLinearSolver | private |
d_wolfeSufficientDec | dftfe::LBFGSNonLinearSolver | private |
FAILURE enum value | dftfe::nonLinearSolver | |
getDebugLevel() const | dftfe::nonLinearSolver | protected |
getMaximumNumberIterations() const | dftfe::nonLinearSolver | protected |
getTolerance() const | dftfe::nonLinearSolver | protected |
initializePreconditioner(nonlinearSolverProblem &problem) | dftfe::LBFGSNonLinearSolver | private |
LBFGSNonLinearSolver(const bool usePreconditioner, const double maxUpdate, const unsigned int maxNumberIterations, const int maxNumPastSteps, const unsigned int debugLevel, const MPI_Comm &mpi_comm_parent, const bool isCurvatureOnlyLineSearchStoppingCondition=false) | dftfe::LBFGSNonLinearSolver | |
LINESEARCH_FAILED enum value | dftfe::nonLinearSolver | |
load(const std::string &checkpointFileName) | dftfe::LBFGSNonLinearSolver | private |
MAX_ITER_REACHED enum value | dftfe::nonLinearSolver | |
mpi_communicator | dftfe::LBFGSNonLinearSolver | private |
nonLinearSolver(const unsigned int debugLevel, const unsigned int maxNumberIterations, const double tolerance=0) | dftfe::nonLinearSolver | protected |
pcout | dftfe::LBFGSNonLinearSolver | private |
RESTART enum value | dftfe::nonLinearSolver | |
ReturnValueType enum name | dftfe::nonLinearSolver | |
save(const std::string &checkpointFileName) | dftfe::LBFGSNonLinearSolver | virtual |
scalePreconditioner(nonlinearSolverProblem &problem) | dftfe::LBFGSNonLinearSolver | private |
solve(nonlinearSolverProblem &problem, const std::string checkpointFileName="", const bool restart=false) | dftfe::LBFGSNonLinearSolver | virtual |
SUCCESS enum value | dftfe::nonLinearSolver | |
updateHistory() | dftfe::LBFGSNonLinearSolver | private |
updateSolution(const std::vector< double > &step, nonlinearSolverProblem &problem) | dftfe::LBFGSNonLinearSolver | private |
~LBFGSNonLinearSolver() | dftfe::LBFGSNonLinearSolver | |
~nonLinearSolver()=0 | dftfe::nonLinearSolver | pure virtual |