- s -
- save()
: SparsePattern
, LR::VarVector
- save_current_fock_as_fprev()
: SCF_restricted
, SCF_unrestricted
, SCF_general
- save_density_as_prevdens()
: SCF_unrestricted
, SCF_general
, SCF_restricted
- save_final_potential()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- save_full_matrices_for_matlab()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- saveAtomGridInBox()
: Stream
- saveAtomsRecursively()
: Stream
- saveBatch()
: Stream
- saveThread()
: Stream
- saveToFile()
: Stream
- Scan()
: MatAccInvestigator< Treal, Tworker >
- SCF_general()
: SCF_general
- SCF_restricted()
: SCF_restricted
- SCF_timer()
: SCF_timer
- SCF_unrestricted()
: SCF_unrestricted
- set()
: expRule< Treal >
, setFromFullRule< Treal >
- setAbsTol()
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- setActualThresh()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setAngularFixed()
: RadialGrid
- setChosenThresh()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setCorrectOccupation()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setDipoleOp()
: ErgoOperator
- setDiskMode()
: LR::VarVectorCollection
- setE2diag()
: LR::LRSolver
- setEigVecPtr()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setElementsByRule()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
, mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
, mat::MatrixTriangular< Treal, Tmatrix >
- setEstimatedStepsLeft()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setForBox()
: ActiveBfShells
- setFromFull()
: LR::VarVector
- setFromFullRule()
: setFromFullRule< Treal >
- setFromMoleculeFile()
: Molecule
- setFull()
: LR::VarVector
- setMatrixParallelLevel()
: mat::Params
- setMemUsageBeforeTrunc()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setMemUsageInXmX2Diff()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setNnzX()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setNnzX2()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setNProcs()
: mat::Params
- SetOfEqSolver()
: LR::SetOfEqSolver
- setOverlappingWith()
: NeighbourList
- setPath()
: mat::FileWritable
- setPoly()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setRelTol()
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- setRHS()
: LR::SetOfEqSolver
- setShellRadii()
: ErgoMolInfo
, GridGenMolInfo
, MyMolInfo
- setSize()
: LR::VarVector
, LR::VarVectorCollection
- setTimeSquare()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setTimeThresh()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setTimeTotal()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setTimeXmX2Norm()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setTimeXX2Read()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setTimeXX2Write()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setTraceX()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setTraceX2()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- setup()
: mat::SizesAndBlocks
- setXmX2EuclNorm()
: mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- ShellTree()
: ShellTree
- ShouldComputeXmX2EuclNormAccurately()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- simple_blockwise_frob_thresh()
: mat::MatrixSymmetric< Treal, Tmatrix >
- SingletonForTimings()
: mat::SingletonForTimings
- size()
: Box
, RadialScheme
, NeighbourList
, SparsePattern::Column
, SparsePattern
, LR::VarVector
, LR::VarVectorCollection
- SizesAndBlocks()
: mat::SizesAndBlocks
- sizeTotal()
: SparsePattern
- SmallMatrix()
: LR::SmallMatrix
- solve()
: LR::LRSolver
- SparseMatrix()
: SparseMatrix
- SparseMatrixWrapper()
: SparseMatrixWrapper
- SparsePattern()
: SparsePattern
- SquareFuncIntegrator()
: SquareFuncIntegrator
- ssmm()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- ssmm_upper_tr_only()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- ssmmUpperTriangleOnly()
: mat::MatrixSymmetric< Treal, Tmatrix >
- start_timer()
: SCF_statistics
- Stats()
: mat::FileWritable::Stats
- step()
: mat::arn::Lanczos< Treal, Tmatrix, Tvector >
, mat::Purification< Treal, Tmatrix, TdebugPolicy >
- stepComputeInfo()
: mat::Purification< Treal, Tmatrix, TdebugPolicy >
- stop()
: SCF_timer
- stop_timer()
: SCF_statistics
- Stream()
: Stream
- StreamSaveContext()
: StreamSaveContext
- subspaceError()
: mat::PuriInfo< Treal, Tvector, TdebugPolicy >
, mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >
- sum()
: ComplexMatrix
- swap()
: mat::ValidPtr< Tobj >
, mat::MatrixHierarchicBase< Treal, Telement >
- sy_gersgorin()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- sy_nnz()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- sy_nvalues()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- sy_trace_ab()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syAccumulateWith()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syAddValues()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syAssignDiffFrobNormsLowestLevel()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- syAssignFrobNormsLowestLevel()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syAssignFromSparse()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syFrob()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syFrobDiff()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syFrobSquared()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- syFrobSquaredDiff()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syFullMatrix()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syGetAllValues()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syGetValues()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syInch()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- symm()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- symorth()
: LR::VarVector
- symToNosym()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- symv()
: mat::Vector< Treal, Telement >
, mat::Vector< Treal >
- syRandom()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- syRandomZeroStructure()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- syrk()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- sySetElementsByRule()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- sysq()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- sytr_upper_tr_only()
: mat::Matrix< Treal >
, mat::Matrix< Treal, Telement >
- syUpTriFullMatrix()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >