dftfe::dftParameters Member List

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

absLinearSolverTolerance	dftfe::dftParameters
absLinearSolverToleranceHelmholtz	dftfe::dftParameters
absPoissonSolverToleranceLRD	dftfe::dftParameters
adaptAndersonMixingParameter	dftfe::dftParameters
adaptiveRankRelTolLRD	dftfe::dftParameters
algoType	dftfe::dftParameters
allowFullCPUMemSubspaceRot	dftfe::dftParameters
allowMultipleFilteringPassesAfterFirstScf	dftfe::dftParameters
approxOverlapMatrix	dftfe::dftParameters
atomicMassesFile	dftfe::dftParameters
autoAdaptBaseMeshSize	dftfe::dftParameters
autoDeviceBlockSizes	dftfe::dftParameters
auxBasisDataXC	dftfe::dftParameters
auxBasisTypeXC	dftfe::dftParameters
bandParalOpt	dftfe::dftParameters
betaTol	dftfe::dftParameters
bfgsStepMethod	dftfe::dftParameters
cellConstraintType	dftfe::dftParameters
cellOptSolver	dftfe::dftParameters
chebyshevFilterPolyDegreeFirstScfScalingFactor	dftfe::dftParameters
chebyshevOrder	dftfe::dftParameters
chebyshevTolerance	dftfe::dftParameters
chebyWfcBlockSize	dftfe::dftParameters
check_parameters(const MPI_Comm &mpi_comm_parent) const	dftfe::dftParameters
computeEnergyEverySCF	dftfe::dftParameters
confiningCParam	dftfe::dftParameters
confiningInnerPotRad	dftfe::dftParameters
confiningOuterPotRad	dftfe::dftParameters
confiningPotential	dftfe::dftParameters
confiningWParam	dftfe::dftParameters
constraintMagnetization	dftfe::dftParameters
constraintsParallelCheck	dftfe::dftParameters
coordinatesFile	dftfe::dftParameters
coordinatesGaussianDispFile	dftfe::dftParameters
createConstraintsFromSerialDofhandler	dftfe::dftParameters
dc_d3ATM	dftfe::dftParameters
dc_d3cutoff2	dftfe::dftParameters
dc_d3cutoff3	dftfe::dftParameters
dc_d3cutoffCN	dftfe::dftParameters
dc_d3dampingtype	dftfe::dftParameters
dc_d4MBD	dftfe::dftParameters
dc_dampingParameterFilename	dftfe::dftParameters
dc_dispersioncorrectiontype	dftfe::dftParameters
deviceFineGrainedTimings	dftfe::dftParameters
dftParameters()	dftfe::dftParameters
diracDeltaKernelScalingConstant	dftfe::dftParameters
domainBoundingVectorsFile	dftfe::dftParameters
estimateJacCondNoFinalSCFIter	dftfe::dftParameters
extrapolateDensity	dftfe::dftParameters
finiteElementPolynomialOrder	dftfe::dftParameters
finiteElementPolynomialOrderElectrostatics	dftfe::dftParameters
floatingNuclearCharges	dftfe::dftParameters
forceRelaxTol	dftfe::dftParameters
functionalTestName	dftfe::dftParameters
gaussianConstantForce	dftfe::dftParameters
gaussianOrderForce	dftfe::dftParameters
gaussianOrderMoveMeshToAtoms	dftfe::dftParameters
highestStateOfInterestForChebFiltering	dftfe::dftParameters
hubbardFileName	dftfe::dftParameters
innerAtomBallRadius	dftfe::dftParameters
intervalSize	dftfe::dftParameters
ionOptSolver	dftfe::dftParameters
ionRelaxFlagsFile	dftfe::dftParameters
isBOMD	dftfe::dftParameters
isCellStress	dftfe::dftParameters
isIonForce	dftfe::dftParameters
isPseudopotential	dftfe::dftParameters
keepScratchFolder	dftfe::dftParameters
kerkerParameter	dftfe::dftParameters
kPointDataFile	dftfe::dftParameters
lbfgsNumPastSteps	dftfe::dftParameters
loadRhoData	dftfe::dftParameters
maxCellUpdateStep	dftfe::dftParameters
maxIonUpdateStep	dftfe::dftParameters
maxJacobianRatioFactorForMD	dftfe::dftParameters
maxLinearSolverIterations	dftfe::dftParameters
maxLinearSolverIterationsHelmholtz	dftfe::dftParameters
maxLineSearchIterCGPRP	dftfe::dftParameters
maxOptIter	dftfe::dftParameters
maxStaggeredCycles	dftfe::dftParameters
MaxWallTime	dftfe::dftParameters
MDTrack	dftfe::dftParameters
memOptMode	dftfe::dftParameters
meshAdaption	dftfe::dftParameters
meshSizeInnerBall	dftfe::dftParameters
meshSizeOuterBall	dftfe::dftParameters
meshSizeOuterDomain	dftfe::dftParameters
meshSizesFile	dftfe::dftParameters
methodSubTypeLRD	dftfe::dftParameters
mixingHistory	dftfe::dftParameters
mixingMethod	dftfe::dftParameters
mixingParameter	dftfe::dftParameters
modelXCInputFile	dftfe::dftParameters
mpiAllReduceMessageBlockSizeMB	dftfe::dftParameters
multipoleBoundaryConditions	dftfe::dftParameters
n_refinement_steps	dftfe::dftParameters
natoms	dftfe::dftParameters
natomTypes	dftfe::dftParameters
nbandGrps	dftfe::dftParameters
netCharge	dftfe::dftParameters
nkx	dftfe::dftParameters
nky	dftfe::dftParameters
nkz	dftfe::dftParameters
nonLinearCoreCorrection	dftfe::dftParameters
nonSelfConsistentForce	dftfe::dftParameters
npool	dftfe::dftParameters
numberEigenValues	dftfe::dftParameters
numberStepsBOMD	dftfe::dftParameters
numberWaveFunctionsForEstimate	dftfe::dftParameters
numCoreWfcForMixedPrecRR	dftfe::dftParameters
numLevels	dftfe::dftParameters
numPass	dftfe::dftParameters
numSCFIterations	dftfe::dftParameters
offsetFlagX	dftfe::dftParameters
offsetFlagY	dftfe::dftParameters
offsetFlagZ	dftfe::dftParameters
optimizationMode	dftfe::dftParameters
orthogType	dftfe::dftParameters
outerAtomBallRadius	dftfe::dftParameters
overlapComputeCommunCheby	dftfe::dftParameters
overlapComputeCommunOrthoRR	dftfe::dftParameters
parse_parameters(const std::string &parameter_file, const MPI_Comm &mpi_comm_parent, const bool printParams=false, const std::string mode="GS", const std::string restartFilesPath=".", const int _verbosity=1, const bool _useDevice=false)	dftfe::dftParameters
periodicX	dftfe::dftParameters
periodicY	dftfe::dftParameters
periodicZ	dftfe::dftParameters
pinnedNodeForPBC	dftfe::dftParameters
poissonGPU	dftfe::dftParameters
printKE	dftfe::dftParameters
pseudoPotentialFile	dftfe::dftParameters
pseudoTestsFlag	dftfe::dftParameters
pspCutoffImageCharges	dftfe::dftParameters
pureState	dftfe::dftParameters
radiusAtomBall	dftfe::dftParameters
readWfcForPdosPspFile	dftfe::dftParameters
reproducible_output	dftfe::dftParameters
restaFermiWavevector	dftfe::dftParameters
restartFolder	dftfe::dftParameters
restartSpinFromNoSpin	dftfe::dftParameters
restaScreeningLength	dftfe::dftParameters
restrictToOnePass	dftfe::dftParameters
reuseDensityGeoOpt	dftfe::dftParameters
reuseLanczosUpperBoundFromFirstCall	dftfe::dftParameters
reuseWfcGeoOpt	dftfe::dftParameters
saveRhoData	dftfe::dftParameters
scalapackBlockSize	dftfe::dftParameters
scalapackParalProcs	dftfe::dftParameters
selfConsistentSolverEnergyTolerance	dftfe::dftParameters
selfConsistentSolverTolerance	dftfe::dftParameters
setAutoParameters(const MPI_Comm &mpi_comm_parent)	dftfe::dftParameters
singlePrecLRD	dftfe::dftParameters
smearedNuclearCharges	dftfe::dftParameters
smearTval	dftfe::dftParameters
solverMode	dftfe::dftParameters
spinMixingEnhancementFactor	dftfe::dftParameters
spinPolarized	dftfe::dftParameters
startingNormLRDLargeDamping	dftfe::dftParameters
startingTempBOMD	dftfe::dftParameters
startingWFCType	dftfe::dftParameters
stressRelaxTol	dftfe::dftParameters
subspaceRotDofsBlockSize	dftfe::dftParameters
tempControllerTypeBOMD	dftfe::dftParameters
tensorOpType	dftfe::dftParameters
thermostatTimeConstantBOMD	dftfe::dftParameters
timeReversal	dftfe::dftParameters
timeStepBOMD	dftfe::dftParameters
toleranceKinetic	dftfe::dftParameters
topfrac	dftfe::dftParameters
tot_magnetization	dftfe::dftParameters
TotalImages	dftfe::dftParameters
TVal	dftfe::dftParameters
useAtomicMagnetizationGuessConstraintMag	dftfe::dftParameters
useDCCL	dftfe::dftParameters
useDensityMatrixPerturbationRankUpdates	dftfe::dftParameters
useDevice	dftfe::dftParameters
useDeviceDirectAllReduce	dftfe::dftParameters
useELPA	dftfe::dftParameters
useELPADeviceKernel	dftfe::dftParameters
useEnergyResidualTolerance	dftfe::dftParameters
useFlatTopGenerator	dftfe::dftParameters
useMixedPrecCGS_SR	dftfe::dftParameters
useMixedPrecCommunOnlyXtHXXtOX	dftfe::dftParameters
useMixedPrecSubspaceRotRR	dftfe::dftParameters
useMixedPrecXtHX	dftfe::dftParameters
useMixedPrecXtOX	dftfe::dftParameters
usePreconditioner	dftfe::dftParameters
useReformulatedChFSI	dftfe::dftParameters
useSinglePrecCheby	dftfe::dftParameters
useSinglePrecCommunCheby	dftfe::dftParameters
useSubspaceProjectedSHEPGPU	dftfe::dftParameters
useSymm	dftfe::dftParameters
verbosity	dftfe::dftParameters
vselfGPU	dftfe::dftParameters
wfcBlockSize	dftfe::dftParameters
writeBandsFile	dftfe::dftParameters
writeDensityQuadData	dftfe::dftParameters
writeDensitySolutionFields	dftfe::dftParameters
writeDosFile	dftfe::dftParameters
writeLdosFile	dftfe::dftParameters
writeLocalizationLengths	dftfe::dftParameters
writePdosFile	dftfe::dftParameters
writeStructreEnergyForcesFileForPostProcess	dftfe::dftParameters
writeWfcSolutionFields	dftfe::dftParameters
XCType	dftfe::dftParameters
xlbomdKernelRankUpdateFDParameter	dftfe::dftParameters
xlbomdRestartChebyTol	dftfe::dftParameters