- a -
- Acceptable()
: mat::Acceptable
- AcceptableMaxIter()
: mat::AcceptableMaxIter
- accumulate()
: FCAccumulator
, Sum
, RandomNumber
- accumulateWith()
: mat::MatrixSymmetric
- activate()
: mat::FileWritable
- ActiveBfShells()
: ActiveBfShells
- add()
: ComplexMatrix
, Dft::FullMatrix
, SparseMatrix
, SparsePattern
, mat::Matrix
, mat::Matrix< Treal >
- add_abs_col_sums()
: mat::Matrix
, mat::Matrix< Treal >
- add_identity()
: mat::MatrixBase
- add_random_disturbance_to_starting_guess()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- add_to_DIIS_list()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- add_value()
: SCF_statistics
- add_values()
: mat::MatrixSymmetric
, mat::MatrixTriangular
, SCF_statistics
- addAtom()
: Stream
, Molecule
, Stream
- addBasisfuncsForMolecule()
: BasisInfoStruct
- addFromFull()
: mat::Vector
, mat::Vector< Treal >
- addIdentity()
: mat::Matrix
, mat::Matrix< Treal >
- addInterval()
: SparsePattern::Column
- addIntervals()
: SparsePattern::Column
- AddIterationToList()
: DIISManagerRestricted
, DIISManagerUnrestricted
- addSymmetrizedTo()
: SparseMatrix
- addTime()
: mat::SingletonForTimings
- addToSpace()
: LR::LRSolver
, LR::SetOfEqSolver
- addValues()
: mat::Matrix
, mat::Matrix< Treal >
- allocate()
: mat::Matrix
, mat::Matrix< Treal >
, mat::Vector
, mat::Vector< Treal >
- ao2mo()
: LR::LRSolver
- asFull()
: Dft::Matrix
, FullMatrixWrapper
, SparseMatrixWrapper
- assert()
: mat::MatrixHierarchicBase
- assertAlways()
: mat::DebugLevelHigh
- assertDebug()
: mat::DebugLevelHigh
, mat::DebugLevelLow
- assign()
: pqrs_struct
, mat::Matrix
, mat::Matrix< Treal >
- assign_from_full()
: mat::VectorGeneral
- assign_from_sparse()
: mat::MatrixSymmetric
, mat::MatrixTriangular
, mat::MatrixGeneral
, mat::MatrixSymmetric
, mat::MatrixGeneral
, mat::MatrixSymmetric
- assignDiffFrobNormsLowestLevel()
: mat::Matrix< Treal >
, mat::Matrix
- AssignFileName()
: FileMatrix
- assignFrobNormsLowestLevel()
: mat::Matrix
, mat::Matrix< Treal >
- assignFromFull()
: mat::Matrix
, mat::MatrixSymmetric
, mat::Vector
, mat::Vector< Treal >
, mat::Matrix< Treal >
, mat::MatrixGeneral
- assignFromSparse()
: mat::Matrix< Treal >
, mat::Matrix
, mat::Matrix< Treal >
- asSparse()
: FullMatrixWrapper
, Dft::Matrix
, SparseMatrixWrapper
- at()
: SparseMatrix
, Dft::Matrix
, SparseMatrixWrapper
, Dft::FullMatrix
, FullMatrixWrapper
- ATAMatrix()
: mat::ATAMatrix
- AtomicGrid()
: AtomicGrid
- axpy()
: mat::Vector
, mat::Vector< Treal >