- a -
- Acceptable()
: mat::Acceptable
- AcceptableMaxIter()
: mat::AcceptableMaxIter
- accumulate()
: FCAccumulator
, RandomNumber
, Sum< Treal >
- accumulated_error()
: pur::Purification_scaled< Tmatrix >
- accumulateWith()
: mat::MatrixSymmetric< Treal, Tmatrix >
- activate()
: mat::FileWritable
- ActiveBfShells()
: ActiveBfShells
- add()
: ComplexMatrix
, Dft::FullMatrix
, mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
, MM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Loop< T_loop_index, T_end >
, MM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Loop< T_end, T_end >
, SparseMatrix
, SparsePattern
- add_abs_col_sums()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- add_identity()
: mat::MatrixBase< Treal, Tmatrix >
, TestMatrix< Treal >
- 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< Treal, Tmatrix >
, mat::MatrixTriangular< Treal, Tmatrix >
, SCF_statistics
- addAtom()
: Molecule
, Stream
- addBasisfuncsForAtomList()
: BasisInfoStruct
- addBasisfuncsForMolecule()
: BasisInfoStruct
- addFromFull()
: mat::Vector< Treal, Telement >
, mat::Vector< Treal >
- addIdentity()
: mat::Matrix< Treal, Telement >
, 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< Treal, Telement >
, mat::Matrix< Treal >
- alloc()
: mat::Allocator< Treal >
, mat::AllocatorManager< Treal >
- allocate()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
, mat::Vector< Treal, Telement >
, mat::Vector< Treal >
- Allocator()
: mat::Allocator< Treal >
- AllocatorManager()
: mat::AllocatorManager< Treal >
- ao2mo()
: LR::LRSolver
- asFull()
: Dft::Matrix
, FullMatrixWrapper
, SparseMatrixWrapper
- assert()
: mat::MatrixHierarchicBase< Treal, Telement >
- assertAlways()
: mat::DebugLevelHigh
- assertDebug()
: mat::DebugLevelHigh
, mat::DebugLevelLow
- assign()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
, pqrs_struct
- assign_from_buffer()
: BasisInfoStruct
, BoysFunctionManager
, hermite_conversion_info_struct
, IntegralInfo
, monomial_info_struct
- assign_from_full()
: mat::VectorGeneral< Treal, Tvector >
- assign_from_sparse()
: mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
, mat::MatrixTriangular< Treal, Tmatrix >
- assignDiffFrobNormsLowestLevel()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- AssignFileName()
: FileMatrix< Treal, TMatrixType >
- assignFrobNormsLowestLevel()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- assignFromFull()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
, mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
, mat::Vector< Treal, Telement >
, mat::Vector< Treal >
- assignFromSparse()
: mat::Matrix< Treal, Telement >
, mat::Matrix< Treal >
- asSparse()
: Dft::Matrix
, FullMatrixWrapper
, SparseMatrixWrapper
- at()
: Dft::FullMatrix
, Dft::Matrix
, FullMatrixWrapper
, SparseMatrix
, SparseMatrixWrapper
- ATAMatrix()
: mat::ATAMatrix< Tmatrix, Treal >
- AtomicGrid()
: AtomicGrid
- axpy()
: mat::Vector< Treal, Telement >
, mat::Vector< Treal >