Here is a list of all class members with links to the classes they belong to:
- e -
- E
: mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >
, mat::EuclTruncationBase< Tmatrix, Treal >
, mat::XYZpUV< TX, TY, TZ, TU, TV >
- e2diag
: LR::LRSolver
- E_list
: DIISManager
- ed_params
: Ergo
- edfty
: uxc_data
, xc_data
- edOptions
: Ergo
- EIG_ABS_GAP_HOMO_VEC
: PurificationGeneral< MatrixType >
- EIG_ABS_GAP_LUMO_VEC
: PurificationGeneral< MatrixType >
- EIG_REL_GAP_HOMO_VEC
: PurificationGeneral< MatrixType >
- EIG_REL_GAP_LUMO_VEC
: PurificationGeneral< MatrixType >
- EigenSolver()
: LR::EigenSolver
- eigensolver_accuracy
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigensolver_maxiter
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigenvalue_bounds_estimation()
: PurificationGeneral< MatrixType >
- eigenvectors_iterative_method
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigenvectors_iterative_method_str
: PurificationGeneral< MatrixType >
- eigenvectors_method
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigenvectors_method_str
: PurificationGeneral< MatrixType >
- eigIsSmall
: mat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector >
- eigValHOMO
: PurificationGeneral< MatrixType >
, PuriInfo
- eigValLUMO
: PurificationGeneral< MatrixType >
, PuriInfo
- eigvalueErrorLimit
: GetDensFromFock
- eigVecHOMO
: PurificationGeneral< MatrixType >
, SCF_restricted
- eigVecHOMO_alpha
: SCF_unrestricted
- eigVecHOMO_beta
: SCF_unrestricted
- eigVecHOMORef
: PurificationGeneral< MatrixType >
- eigVecLUMO
: PurificationGeneral< MatrixType >
, SCF_restricted
- eigVecLUMO_alpha
: SCF_unrestricted
- eigVecLUMO_beta
: SCF_unrestricted
- eigVecLUMORef
: PurificationGeneral< MatrixType >
- eigVectorTri
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- el
: uxc_data
, xc_data
, XcData
- elapsedTimeCPU_sys
: SCF_timer
- elapsedTimeCPU_usr
: SCF_timer
- elapsedTimeWall
: SCF_timer
- electric_field
: SCF::Options
- electronic_temperature
: SCF::Options
- electronicEntropyTerm
: SCF_general
- electronicTemperature
: GetDensFromFock
- electrons
: LinData
- elementList
: csr_matrix_struct
- elements
: mat::MatrixHierarchicBase< Treal, Telement >
, mat::VectorHierarchicBase< Treal, Telement >
- ElementType
: mat::Matrix< Treal, Telement >
, mat::Vector< Treal, Telement >
- empty()
: mat::Interval< Treal >
- end()
: NeighbourList
, SparsePattern::Column
, SparsePattern::Column::Iterator
- energy
: KsData< Matrix >
, SCF_general
, uks_data
, UksData< Matrix >
- energy_2el
: SCF_general
- energy_2el_core
: SCF_general
- energy_2el_valence
: SCF_general
- energy_diff_limit
: CI::Options
- energy_of_valence
: SCF_general
- energy_reference
: SCF_general
- eph
: RadialSchemeLMG
- Ergo()
: Ergo
- ErgoE2Evaluator()
: ErgoE2Evaluator
- ErgoGridStream()
: ErgoGridStream
- ErgoMolInfo()
: ErgoMolInfo
- ErgoOperator()
: ErgoOperator
- ergoShells
: ErgoGridStream
- error_eig
: PurificationGeneral< MatrixType >
- error_maxabs_for_diis
: SCF::Options
- error_per_it
: PurificationGeneral< MatrixType >
- error_sub
: PurificationGeneral< MatrixType >
- error_subspace
: PuriInfo
- errorList_eucl
: MatAccInvestigator< Treal, Tworker >
- errorList_frob
: MatAccInvestigator< Treal, Tworker >
- errorList_maxe
: MatAccInvestigator< Treal, Tworker >
- ErrorMatrix
: SCF_restricted
- ErrorMatrix_alpha
: SCF_unrestricted
- ErrorMatrix_beta
: SCF_unrestricted
- errorMeasure
: SCF_general
- errorTol
: per::Perturbation< Treal, Tmatrix, Tvector >
- estim_total_it
: PuriInfo
- estimate_homo_lumo()
: PurificationGeneral< MatrixType >
- estimate_number_of_iterations()
: Purification_sp2< MatrixType >
, Purification_sp2acc< MatrixType >
, PurificationGeneral< MatrixType >
- estimatedIntegralErrorDensity
: ComputeGridResultValuesStruct
- estimatedIntegralErrorEnergy
: ComputeGridResultValuesStruct
- eSub
: LR::LRSolver
- eucl()
: mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
, mat::MatrixTriangular< Treal, Tmatrix >
, mat::Vector< Treal, Telement >
, mat::Vector< Treal >
, mat::VectorGeneral< Treal, Tvector >
- eucl_diff()
: mat::MatrixSymmetric< Treal, Tmatrix >
- eucl_diff_time
: IterationInfo
- eucl_element_level_thresh()
: mat::MatrixSymmetric< Treal, Tmatrix >
- eucl_thresh()
: mat::MatrixGeneral< Treal, Tmatrix >
, mat::MatrixSymmetric< Treal, Tmatrix >
, mat::MatrixTriangular< Treal, Tmatrix >
- eucl_thresh_congr_trans_measure()
: mat::MatrixTriangular< Treal, Tmatrix >
- euclDiffIfSmall()
: mat::MatrixSymmetric< Treal, Tmatrix >
- euclideanNormList
: multipole_struct_large
- euclIfSmall()
: mat::EuclTruncationBase< Tmatrix, Treal >
, mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal >
, mat::EuclTruncationGeneral< Tmatrix, Treal >
, mat::EuclTruncationSymm< Tmatrix, Treal >
, mat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal >
- EuclTruncationBase()
: mat::EuclTruncationBase< Tmatrix, Treal >
- EuclTruncationCongrTransMeasure()
: mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal >
- EuclTruncationGeneral()
: mat::EuclTruncationGeneral< Tmatrix, Treal >
- EuclTruncationSymm()
: mat::EuclTruncationSymm< Tmatrix, Treal >
- EuclTruncationSymmElementLevel()
: mat::EuclTruncationSymmElementLevel< Tmatrix, Treal >
- EuclTruncationSymmWithZ()
: mat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal >
- eVal
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- eval()
: mat::TC2< Treal, Tmatrix >::Fun
- eValTmp
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- eVec
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- exca
: uks_data
, UksData< Matrix >
- excb
: uks_data
, UksData< Matrix >
- Exception()
: SparseMatrix::Exception
- exchange_box_size
: JK::Params
- ExchWeights()
: JK::ExchWeights
- excmat
: KsData< Matrix >
- exec()
: MM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >
, MM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_rows, T_cols, T_ordering_kernel, T_repetitions >::Assign_to_packed< T_ordering_matrix >
, MM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_rows, T_cols, T_ordering_kernel, T_repetitions >
, MM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_rows, T_cols, T_ordering_kernel, T_repetitions >::Extract_from_packed< T_ordering_matrix >
, MM_kernel_outer_A< T_gemm_kernel, T_M_block, T_N_block >
, MM_kernel_outer_A< T_gemm_kernel, T_M_block, T_N_block >::Pack< T_rows_block, T_cols_block, T_ordering_block, T_pack_type_kernel >
- expand()
: LR::SmallMatrix
- expectedPoints
: Stream
- exponent
: cluster_struct
, distr_group_struct
, DistributionSpecStruct
, IntegratorCase
, unique_exponent_struct
- exponentList
: BasisFuncStruct
, basisset_shell_struct
, ShellSpecStruct
- extent
: BasisFuncStruct
, DistributionSpecStruct
, NeighbourList
, ShellSpecStructWithExtent
- extraCharges
: SCF_general
- extraChargesMolecule
: Ergo