Here is a list of all class members with links to the classes they belong to:
- g
: DftIntegratorBl_
- G_alpha
: SCF_unrestricted
- G_beta
: SCF_unrestricted
- gap
: per::Perturbation< Treal, Tmatrix, Tvector >
- gap_expected_lower_bound
: SCF::Options
- GC2
: Dft::GridParams
- geAccumulateWith()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- gemm()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- gemm_upper_tr_only()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- gemv()
: mat::Vector< Treal, Telement >
, mat::Vector< Treal >
- generate()
: RadialSchemeGC2
, RadialSchemeTurbo
, RadialSchemeLMG
, RadialScheme
- generateSparsePatternOnly
: compute_grid_thread_func_struct
- gersgorin()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
, mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
- get_2e_part_and_energy()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- get_all_values()
: mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
, mat::MatrixTriangular< Treal, Tmatrix >
- get_basis_funcs()
: BasisInfoStruct
- get_diagonal()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- get_energy()
: SCF_general
- get_error_measure()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- get_FDSminusSDF()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- get_Fock_matrices()
: SCF_unrestricted
- get_H_core_matrix()
: SCF_general
- get_items_near_point()
: BoxSystem
- get_items_near_point_recursive()
: BoxSystem
- get_list_of_available_exponents()
: ExponentList
- get_max_abs_mm_contrib()
: MMLimitTable
- get_maxiter()
: mat::AcceptableMaxIter
- get_minimum_multipole_degree_needed()
: MMLimitTable
- get_ncols()
: mat::MatrixBase< Treal, Tmatrix >
- get_new_density_matrix()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- get_no_of_electrons()
: SCF_unrestricted
- get_non_ort_err_mat_normalized_in_ort_basis()
: SCF_restricted
- get_nrows()
: mat::DiffMatrix< Tmatrix, Treal >
, mat::ATAMatrix< Tmatrix, Treal >
, mat::TripleMatrix< Tmatrix, Tmatrix2, Treal >
, mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >
, mat::MatrixBase< Treal, Tmatrix >
- get_overlap_matrix()
: SCF_general
- get_S2()
: SCF_unrestricted
- get_starting_guess_density()
: SCF_restricted
, SCF_unrestricted
, SCF_general
- get_values()
: mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
, mat::MatrixTriangular< Treal, Tmatrix >
- get_wall_seconds()
: mat::Time
- get_x_from_distance()
: MMLimitTable
- getAccumulatedTime()
: mat::SingletonForTimings
- getAccumulatedTimeSquare()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getAccumulatedTimeThresh()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getAccumulatedTimeTotal()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getAccumulatedTimeXmX2Norm()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getActualThresh()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getAllValues()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- getAtom()
: ErgoMolInfo
, GridGenMolInfo
, MyMolInfo
- getAtomicGrid()
: Stream
- getAvMinusFreqSv()
: LR::LRSolver
- getBlocks()
: ErgoMolInfo
, GridGenMolInfo
, MyMolInfo
- getBlocks1()
: ErgoMolInfo
- getBlockSizeVector()
: mat::SizesAndBlocks
- getCharge()
: RadialGrid
- getChosenThresh()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getCols()
: mat::DiffMatrix< Tmatrix, Treal >
, mat::ATAMatrix< Tmatrix, Treal >
, mat::TripleMatrix< Tmatrix, Tmatrix2, Treal >
, mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >
, mat::MatrixBase< Treal, Tmatrix >
- getColumnSize()
: SparsePattern
- GetCombinedFockMatrices()
: DIISManagerUnrestricted
- GetCombinedFockMatrix()
: DIISManagerRestricted
- getConstRefForCopying()
: mat::ValidPtr< Tobj >
- getCorrectOccupation()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getDelta()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getDiskMode()
: LR::VarVectorCollection
- getDistanceTo()
: Box
- getEigAccLoss()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getEigFInterval()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getEigInterval()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getEigsByIndex()
: mat::arn::MatrixTridiagSymmetric< Treal >
- getEigsByInterval()
: mat::arn::MatrixTridiagSymmetric< Treal >
- getEigVecPtr()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getEigVector()
: mat::arn::Lanczos< Treal, Tmatrix, Tvector >
- getEstimatedStepsLeft()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- GetEuclideanNormOfMatrix()
: SCF_general
- getExps()
: ErgoMolInfo
, GridGenMolInfo
, MyMolInfo
- getExtremeInternuclearDistances()
: Molecule
- getFactor()
: BoxPartitioner
- getFreq()
: LR::EigenSolver
- getFrobSqElementLevel()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- getFrobSqLowestLevel()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- getFrobSqNorms()
: mat::EuclTruncationBase< Tmatrix, Treal >
, mat::EuclTruncationSymm< Tmatrix, Treal >
, mat::EuclTruncationSymmElementLevel< Tmatrix, Treal >
, mat::EuclTruncationGeneral< Tmatrix, Treal >
- getFrobTruncBounds()
: mat::EuclTruncationGeneral< Tmatrix, Treal >
, mat::EuclTruncationBase< Tmatrix, Treal >
, mat::EuclTruncationSymm< Tmatrix, Treal >
, mat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal >
, mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal >
- getHomo()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getHOMOandLUMOeigVecs()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getHomoF()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getHomoWasComputed()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getInitialGuess()
: LR::LRSolver
, LR::SetOfEqSolver
, LR::EigenSolver
- getInteractionMatrix()
: MMInteractor
- getInvDistanceBetweenAtoms()
: BoxPartitioner
- getLargestMagnitudeEig()
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- getLargestMagnitudeEigPair()
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- getLumo()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getLumoF()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getLumoWasComputed()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getMatrix()
: mat::MatrixBase< Treal, Tmatrix >
- getMatrixParallelLevel()
: mat::Params
- getMaxDim()
: Box
- getMaxShells()
: ActiveBfShells
- getMaxSteps()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getMemUsage()
: mat::MemUsage
- getMemUsageBeforeTrunc()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getMemUsageInXmX2Diff()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getN0()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getN1()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getNBlocks()
: mat::SizesAndBlocks
- getNext()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getNnzX()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getNnzX2()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- GetNoOfIters()
: DIISManager
- getNoOfShells()
: ActiveBfShells
- getNormForTruncation()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getNProcs()
: mat::Params
- getNScalars()
: mat::SizesAndBlocks
- getNSteps()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getNTotalScalars()
: mat::SizesAndBlocks
- getNuclearElectricFieldEnergy()
: Molecule
- getNuclearRepulsionEnergy()
: Molecule
- getNumberFromBuffer()
: mat::MemUsage
- getNumberOfElectrons()
: Molecule
- getOffset()
: mat::SizesAndBlocks
- getOper()
: LR::OneElOperator
, ErgoOperator
- getOptimalThresh()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getOverlappingWith()
: ShellTree
- getPermutedAndSymmetrized()
: mat::MatrixSymmetric< Treal, Tmatrix >
- getPermutedIndexes()
: mat::MatrixBase< Treal, Tmatrix >
- getPointCount()
: Stream
, RadialGrid
, AtomicGrid
- getPolarisability()
: LR::SetOfEqSolver
- getPoly()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getPreconditionerShift()
: LR::EigenSolver
, LR::LRSolver
, LR::SetOfEqSolver
- getRadialGrid()
: AtomicGrid
- getRadius()
: RadialGrid
- getResidual()
: LR::SetOfEqSolver
, LR::LRSolver
, LR::EigenSolver
- getRows()
: mat::MatrixBase< Treal, Tmatrix >
- GetScanResult()
: MatAccInvestigator< Treal, Tworker >
- getShellFactor()
: SquareFuncIntegrator
- getSimplePrimitivesAll()
: BasisInfoStruct
- getSizesAndBlocksForFrobNormMat()
: mat::MatrixSymmetric< Treal, Tmatrix >
- getSizesAndBlocksForLowerLevel()
: mat::SizesAndBlocks
- getStatsCount()
: mat::FileWritable
- getStatsCountCopyAndAssign()
: mat::FileWritable
- getStatsCountRead()
: mat::FileWritable
- getStatsCountWrite()
: mat::FileWritable
- getStatsFileSizes()
: mat::FileWritable
- getStatsTime()
: mat::FileWritable
- getStatsTimeCopyAndAssign()
: mat::FileWritable
- getStatsTimeRead()
: mat::FileWritable
- getStatsTimeWrite()
: mat::FileWritable
- getThreshIncreasingGap()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- getTimeSquare()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTimeThresh()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTimeTotal()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTimeXmX2Norm()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTimeXX2Read()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTimeXX2Write()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTraceX()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTraceX2()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- getTransitionMoment2()
: LR::EigenSolver
- getTranslationMatrix()
: MMTranslator
- getValues()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- getVector()
: mat::VectorGeneral< Treal, Tvector >
- getXC()
: XCEvaluatorRestricted
, XCEvaluatorUnrestricted
- getXmX2EuclNorm()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- ggmi
: ActiveBfShells
, RadialSchemeLMG
- GhostBasis
: Ergo
- ghostMolecule
: Ergo
- global_debug_id
: chunk_struct
- grad
: DftIntegratorBl_
- grada
: FunDensProp_
- gradab
: FunDensProp_
- gradb
: FunDensProp_
- grdc
: RadialSchemeLMG
- gridFile
: compute_grid_thread_func_struct
- gridGenerationParams
: compute_grid_for_box_params_struct
, compute_grid_thread_func_struct
- GridGenerationParamsStruct()
: GridGenerationParamsStruct
- GridGenMolInfo()
: GridGenMolInfo
- GridParams()
: Dft::GridParams
- gridParams
: Vxc_worker
, SCF_general
- gridSize
: RadialScheme
- gridType
: Dft::GridParams
- GridType
: Dft::GridParams
- groupCount
: distr_org_struct
- groupID
: DistributionSpecStructLabeled
- groupList
: distr_org_struct
- groupStartIndex
: cluster_struct
- gss
: uxc_data
, LinData
, xc_data
, XCEvaluator
- gsSettings
: ErgoGridStream
- guessDmatFileName
: SCF_general