DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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dftfe::geoOptCell Member List

This is the complete list of members for dftfe::geoOptCell, including all inherited members.

d_dftPtrdftfe::geoOptCellprivate
d_domainVolumeInitialdftfe::geoOptCellprivate
d_isRestartdftfe::geoOptCellprivate
d_isScfRestartdftfe::geoOptCellprivate
d_nonLinearSolverPtrdftfe::geoOptCellprivate
d_relaxationFlagsdftfe::geoOptCellprivate
d_restartPathdftfe::geoOptCellprivate
d_solverdftfe::geoOptCellprivate
d_solverRestartdftfe::geoOptCellprivate
d_solverRestartPathdftfe::geoOptCellprivate
d_strainEpsilondftfe::geoOptCellprivate
d_totalUpdateCallsdftfe::geoOptCellprivate
geoOptCell(dftBase *dftPtr, const MPI_Comm &mpi_comm_parent, const bool restart=false)dftfe::geoOptCell
getMPICommunicator()dftfe::geoOptCellvirtual
getNumberUnknowns() constdftfe::geoOptCellvirtual
getUnknownCountFlag() constdftfe::geoOptCellvirtual
gradient(std::vector< double > &gradient)dftfe::geoOptCellvirtual
init(const std::string &restartPath)dftfe::geoOptCell
isConverged() constdftfe::geoOptCellvirtual
mpi_communicatordftfe::geoOptCellprivate
n_mpi_processesdftfe::geoOptCellprivate
nonlinearSolverProblem()dftfe::nonlinearSolverProblem
pcoutdftfe::geoOptCellprivate
precondition(std::vector< double > &s, const std::vector< double > &gradient)dftfe::geoOptCellvirtual
run()dftfe::geoOptCell
save()dftfe::geoOptCellvirtual
solution(std::vector< double > &solution)dftfe::geoOptCellvirtual
this_mpi_processdftfe::geoOptCellprivate
update(const std::vector< double > &solution, const bool computeStress=true, const bool useSingleAtomSolutionsInitialGuess=false)dftfe::geoOptCellvirtual
value(std::vector< double > &functionValue)dftfe::geoOptCellvirtual
writeMesh(std::string meshFileName)dftfe::geoOptCell
~nonlinearSolverProblem()=0dftfe::nonlinearSolverProblempure virtual
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