- a -
- Acceptable() : mat::Acceptable
- AcceptableMaxIter() : mat::AcceptableMaxIter
- accumulate() : FCAccumulator, RandomNumber, Sum< Treal >
- 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 >
- 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
- addBasisfuncsForPoint() : BasisInfoStruct
- addContrib() : ResultMatContrib
- 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
- apply_inverse_poly_vector() : Purification_sp2< MatrixType >, Purification_sp2acc< MatrixType >, PurificationGeneral< MatrixType >
- apply_poly() : Purification_sp2< MatrixType >, Purification_sp2acc< MatrixType >, PurificationGeneral< MatrixType >
- 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, basisset_info, BoysFunctionManager, hermite_conversion_info_struct, IntegralInfo, MMLimitTable, monomial_info_struct, MultipolePrepManager, SetOfDistrsForV
- 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 >
- assignFrobNormsLowestLevel() : mat::Matrix< Treal, Telement >, mat::Matrix< Treal >
- assignFromBuffer() : distr_list_description_struct, distr_org_mm_struct, distr_org_struct
- 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 >