Here is a list of all class members with links to the classes they belong to:
- c -
- C : mat::XYZ< TX, TY, TZ >, mat::XYZpUV< TX, TY, TZ, TU, TV >, vwn_params
- c : abcd_struct
- calculate_energy() : SCF_general, SCF_restricted, SCF_unrestricted
- calculation_identifier : SCF::Options
- CAM_params : K_joblist_thread_struct, Kworker, SCF_general
- capacity : mat::arn::Lanczos< Treal, Tmatrix, Tvector >, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >, mat::arn::MatrixTridiagSymmetric< Treal >
- caseList : IntegratorWithMemory
- center : AtomicGrid, Ball
- centerCoords : BasisFuncStruct, box_item_struct, box_struct_basic, distr_group_struct, DistributionSpecStruct, multipole_struct_large, multipole_struct_small, ShellSpecStruct
- centerOfChargeCoords : atom_box_struct
- charge : Atom, AtomicGrid, RadialGrid
- chargeSum : distr_org_mm_struct::Data
- check_eigenvectors_at_the_end() : PurificationGeneral< MatrixType >
- check_homo_lumo_eigenvalues() : PurificationGeneral< MatrixType >
- check_new_stopping_criterion() : PurificationGeneral< MatrixType >
- check_params() : SCF_general, SCF_restricted, SCF_unrestricted
- check_standard_stopping_criterion() : PurificationGeneral< MatrixType >
- check_stopping_criterion_iter : PurificationGeneral< MatrixType >
- checkCommutators() : per::Perturbation< Treal, Tmatrix, Tvector >
- checkIdempotencies() : per::Perturbation< Treal, Tmatrix, Tvector >
- checkMaxSubspaceError() : per::Perturbation< Treal, Tmatrix, Tvector >
- checkpoint_IDstr : SCF::Options
- child1 : rhoTreeNode_
- child2 : rhoTreeNode_
- cht_blocksize : SCF::Options
- cht_leavesSizeMax : SCF::Options
- clean_eigs_intervals() : GetDensFromFock
- clean_puri_stats() : GetDensFromFock
- clear() : basisset_info, mat::arn::MatrixTridiagSymmetric< Treal >, mat::FileWritable, mat::Matrix< Treal, Telement >, mat::Matrix< Treal >, mat::MatrixBase< Treal, Tmatrix >, mat::Vector< Treal, Telement >, mat::Vector< Treal >, mat::VectorGeneral< Treal, Tvector >, Molecule, PurificationGeneral< MatrixType >
- clear_diis_list() : SCF_general, SCF_restricted, SCF_unrestricted
- clear_error_matrices() : SCF_general, SCF_restricted, SCF_unrestricted
- clear_lists() : hermite_conversion_info_struct
- clear_structure() : mat::VectorGeneral< Treal, Tvector >
- ClearList() : DIISManagerRestricted, DIISManagerUnrestricted
- clusterList : distr_org_struct
- clusterStartIndex : batch_struct
- cmo : LR::LRSolver
- cnt : SparseMatrix
- coeff : basis_func_term_struct, DistributionSpecStruct, hermite_conversion_contrib_struct, hermite_conversion_element_struct, minimal_distr_struct, poly_12_term_struct, poly_1d_term_struct_symb, poly_3d_term_struct_symb, symb_matrix_element
- coeffList : BasisFuncStruct, basisset_shell_struct, ShellSpecStruct
- coeffs : SO_struct
- col : csr_index_pair_struct, mat::MatrixHierarchicBase< Treal, Telement >, ResultMatContrib::RowColVal
- colind : matrix_description_struct
- cols : mat::MatrixHierarchicBase< Treal, Telement >, 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_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 >
- cols_kernel : 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 >
- columnIndexList : csr_matrix_struct
- columns : SparseMatrix
- combine_old_fock_matrices() : SCF_general, SCF_restricted, SCF_unrestricted
- commutation_error : IterationInfo
- compare() : pqrs_struct
- compare_to_refined : Dft::HiCuGridParams
- CompareClass() : CompareClass< RandomAccessIterator >
- compareToRefined : GridGenerationParamsStruct
- CompileTimeChecker() : CompileTimeChecker< bool >, CompileTimeChecker< false >
- compute_core_density : SCF::Options
- compute_derivative() : Purification_sp2< MatrixType >, Purification_sp2acc< MatrixType >, PurificationGeneral< MatrixType >
- compute_dipole_moment() : SCF_general, SCF_restricted, SCF_unrestricted
- compute_eigenvector() : PurificationGeneral< MatrixType >
- compute_eigenvectors : data_for_recexp, GetDensFromFock
- compute_eigenvectors_extra() : GetDensFromFock
- compute_eigenvectors_in_each_iteration : PurificationGeneral< MatrixType >
- compute_eigenvectors_in_this_SCF_cycle : PurificationGeneral< MatrixType >, PuriInfo
- compute_eigenvectors_without_diagonalization() : PurificationGeneral< MatrixType >
- compute_eigenvectors_without_diagonalization_last_iter_proj() : PurificationGeneral< MatrixType >
- compute_eigenvectors_without_diagonalization_on_F() : PurificationGeneral< MatrixType >
- compute_gradient_fixeddens : SCF::Options, SCF_general, SCF_restricted, SCF_unrestricted
- compute_grid_for_box_params_struct() : compute_grid_for_box_params_struct
- compute_grid_thread_func_struct() : compute_grid_thread_func_struct
- compute_spectrum_bounds() : PurificationGeneral< MatrixType >
- compute_X() : PurificationGeneral< MatrixType >
- computed_spectrum_bounds : PurificationGeneral< MatrixType >
- computeEigenPairTri() : mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- computeEigVec() : mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- computeExactE2Diag() : LR::LRSolver
- ComputeGridResultValuesStruct() : ComputeGridResultValuesStruct
- computeIntegralOfSquareOfBasisFunc() : SquareFuncIntegrator
- ComputeMatrix() : Jworker, Jworkertest, Kworker, Vxc_worker
- computeMoments() : LR::EigenSolver
- computeRangeSeparatedExchange : JK::ExchWeights
- conditionVar : ergo_barrier
- CongrTransErrorMatrix() : mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >
- const : mat::MatrixHierarchicBase< Treal, Telement >
- constant_C : PurificationGeneral< MatrixType >
- constantC : IterationInfo
- contains() : Box
- contrCount : basisset_shell_struct
- converged() : mat::arn::Lanczos< Treal, Tmatrix, Tvector >, mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >, mat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector >, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >, PuriInfo
- converged_ith() : mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- convergence_threshold : CI::Options, SCF::Options
- convThreshold : LR::LRSolver
- coor : BoxPartitioner, DftIntegratorBl_
- coords : Atom
- copy() : ComplexMatrix
- copyFromFile() : mat::FileWritable
- copyToFile() : mat::FileWritable
- copyTridiag() : mat::arn::Lanczos< Treal, Tmatrix, Tvector >, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- count : basis_set_range_struct, BasissetNameRange, group_struct, SlaterDet_struct
- countCopyAndAssign : mat::FileWritable::Stats
- counter_all : mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- counter_orth : mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- counterArrForPlot : compute_grid_thread_func_struct
- counters_left : hermite_conversion_info_struct
- counters_left_simple : hermite_conversion_info_struct
- counters_right : hermite_conversion_info_struct
- counters_right_simple : hermite_conversion_info_struct
- countRead : mat::FileWritable::Stats
- countWrite : mat::FileWritable::Stats
- cover() : mat::Interval< Treal >
- create_2el_integral_m_file : SCF::Options
- create_basis_func_coord_file : SCF::Options
- create_box_system() : BoxSystem
- create_checkpoint() : GetDensFromFock
- create_checkpoints : SCF::Options
- create_eigenvalues_files() : SCF_restricted, SCF_unrestricted
- create_eigenvectors_files() : SCF_general, SCF_restricted, SCF_unrestricted
- create_eigvec_file() : SCF_restricted, SCF_unrestricted
- create_gabedit_file() : SCF_general, SCF_restricted, SCF_unrestricted
- create_gabedit_file_2() : SCF_restricted
- create_homo_eigvec_file() : SCF_restricted
- create_lumo_eigvec_file() : SCF_restricted
- create_m_files : GetDensFromFock
- create_mtx_file_H_core : SCF::Options
- create_mtx_file_S : SCF::Options
- create_mtx_files_D : SCF::Options, SCF_general, SCF_restricted, SCF_unrestricted
- create_mtx_files_dipole : SCF::Options
- create_mtx_files_F : SCF::Options, SCF_general, SCF_restricted, SCF_unrestricted
- create_mtx_files_S_and_quit : SCF::Options
- createOffsets() : SparseMatrix
- cubicBoxes : Dft::GridParams
- curr_cycle_stats : SCF_general
- curr_point : DftIntegratorBl_
- curr_subspace_diff : SCF_general
- curr_weight : DftIntegratorBl_
- currContribCount : ResultMatContrib
- currCount : ergo_barrier
- current : SparsePattern::Column::Iterator
- currentAge : LR::VarVectorCollection
- currJobNumber : compute_grid_thread_func_struct
- currVecIndex : ResultMatContrib
- currVecReservedSize : ResultMatContrib
- cycle : ergo_barrier