| abalpha_struct | |
| abcd_struct | |
| mat::Acceptable | |
| mat::AcceptableMaxIter | |
| ActiveBfShells | A class that is able to quickly determine the active shells that overlap with given box in space |
| mat::ATAMatrix< Tmatrix, Treal > | |
| Atom | Simple atom representation by its charge and cartesian coordinates |
| atom_box_struct | |
| AtomicGrid | |
| Ball | |
| basis_func_group_info_for_box | |
| basis_func_index_pair_struct | |
| basis_func_index_pair_struct_1el | |
| basis_func_pair_struct | |
| basis_func_poly_struct | |
| basis_func_term_struct | |
| basis_set_range_struct | |
| basisFuncGroupPairStruct | |
| BasisFuncStruct_ | |
| BasisInfoStruct | |
| basisset_atom_struct | |
| basisset_shell_struct | |
| basisset_struct | |
| BasissetNameRange | |
| Box | Class Box provides an ability to determine box containing all Objects |
| box_item_struct | |
| box_level_struct | |
| box_struct | |
| box_struct_basic | |
| BoxPartitioner | "Block" partitioning is the only one implemented now |
| BoxStruct_ | |
| BoxSystem | |
| BoysFuncIntervalStruct | |
| chunk_struct | |
| cluster_struct | |
| CompareClass< RandomAccessIterator > | |
| ComplexMatrix | |
| compute_grid_for_box_params_struct | |
| compute_grid_thread_func_struct | |
| ComputeGridResultValuesStruct | |
| mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal > | |
| contrib_debug_struct | |
| CSR_element_struct | |
| csr_index_pair_struct | |
| csr_matrix_row_struct | |
| csr_matrix_struct | |
| mat::DebugLevelHigh | |
| mat::DebugLevelLow | |
| mat::DebugLevelMedium | |
| DensfitData | |
| densityFileHeaderStruct | |
| DensitySpecStruct | |
| DftGridReader | |
| DftIntegratorBl_ | |
| mat::DiffMatrix< Tmatrix, Treal > | |
| DIISManager | |
| DIISManagerRestricted | |
| DIISManagerUnrestricted | |
| distr_group_struct | |
| distr_idxs_and_factor_struct | |
| distr_list_description_struct | |
| distr_org_struct | |
| DistributionSpecStruct_ | |
| DistributionSpecStructLabeled | |
| DistributionSpecStructWithPairIdx | |
| dmatElementStruct | |
| LR::E2Evaluator | E2Evaluator interface provides a way to perform a linear transformation of supplied transition density matrix |
| LR::EigenSolver | Iterative Eigenvalue solver, extending the generic LRSolver |
| Ergo | An object representing the state of the input processor |
| ergo_barrier | |
| ErgoE2Evaluator | ErgoE2Evaluator implements the linear tranformation of the trial vector/transition density matrix by the E[2] operator |
| ErgoGridStream | Ergo-specific GridStream implementation |
| ErgoMolInfo | Ergo specific implementation of molecule-grid interface |
| ErgoOperator | |
| mat::EuclTruncationBase< Tmatrix, Treal > | |
| mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal > | Truncation of general matrices with impact on matrix triple multiply as error measure |
| mat::EuclTruncationGeneral< Tmatrix, Treal > | Truncation of general matrices |
| mat::EuclTruncationSymm< Tmatrix, Treal > | Truncation of symmetric matrices |
| mat::EuclTruncationSymmElementLevel< Tmatrix, Treal > | Truncation of symmetric matrices at the element level (used for mixed norm truncation) |
| mat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal > | Truncation of symmetric matrices with Z |
| JK::ExchWeights | |
| ExponentList | |
| expRule< Treal > | |
| mat::Failure | |
| FCAccumulator | |
| FileMatrix< Treal, TMatrixType > | |
| mat::FileWritable | Write and read objects to/from file |
| mat::FileWritable::Manager | |
| mat::FileWritable::Stats | |
| FirstDrv | A vector of first order derivatives with respect to two parameters: density rho and SQUARE of the gradient of density grho |
| four_idx_AO_struct | |
| four_idx_SO_struct | |
| Dft::FullMatrix | |
| FullMatrixWrapper | |
| FuncList_ | |
| Functional_ | |
| FunctionalList | |
| FunDensProp_ | |
| FunFirstFuncDrv | |
| FunFourthFuncDrv | |
| FunSecondFuncDrv | |
| FunThirdFuncDrv | |
| mat::Gblas | |
| GridGenerationParamsStruct | |
| GridGenMolInfo | GridGenMolInfo is an abstract class providing information about the molecule so that the grid generator can fetch atom positions and charges, and shell extents |
| Dft::GridParams | A structure describing the grid settings |
| group_struct | |
| hermite_conversion_contrib_struct | |
| hermite_conversion_info_struct | |
| Dft::HiCuGridParams | A structure describing the HiCu grid settings |
| host_name_struct | |
| identify_needed_elements_thread_struct | |
| IntegralInfo | Contains coefficients needed for quick integral evaluation |
| IntegratorCase | |
| IntegratorWithMemory | |
| interaction_matrix_limit_range_struct | |
| interaction_matrix_limit_struct | |
| mat::Interval< Treal > | |
| J_std_joblist_thread_struct | |
| JFMMWorkerData | |
| JK_contribs_buffer_struct | |
| job_list_entry_K_struct | |
| job_list_multipole_entry_J_struct | |
| job_list_standard_entry_J_struct | |
| Jworker | |
| Jworkertest | |
| K_joblist_thread_struct | |
| Kworker | |
| l_m_struct | |
| mat::arn::Lanczos< Treal, Tmatrix, Tvector > | Class template for building Krylov subspaces with Lanczos |
| mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector > | |
| mat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector > | |
| LinData | |
| LinRespBlData | |
| listsStruct | |
| LR::LRSolver | Linear Response iterative solver using a variant of the Davidson method |
| MatAccInvestigator< Treal, Tworker > | |
| SCF::MatOptions | An object respresenting the configuration of the matrix library |
| mat::Matrix< Treal, Telement > | Matrix class and heart of the matrix library |
| Dft::Matrix | Generic matrix interface |
| mat::Matrix< Treal > | |
| matrix_description_struct | |
| matrix_utilities_CompareClass< RandomAccessIterator > | |
| mat::MatrixBase< Treal, Tmatrix > | Base class for matrix API |
| mat::MatrixGeneral< Treal, Tmatrix > | Normal matrix |
| mat::MatrixHierarchicBase< Treal, Telement > | Base class for Matrix and Matrix specialization |
| mat::MatrixSymmetric< Treal, Tmatrix > | Symmetric matrix |
| mat::MatrixTriangular< Treal, Tmatrix > | Upper non-unit triangular matrix |
| mat::arn::MatrixTridiagSymmetric< Treal > | Tridiagonal symmetric matrix class template |
| mat::MemUsage | |
| mat::MemUsage::Values | |
| minimal_distr_struct | |
| MMInteractor | |
| MMLimitTable | |
| MMTranslator | |
| Molecule | Representation of a molecule as a set of nuclei and total charge |
| monomial_info_struct | |
| monomial_struct | |
| multipole_struct_large | |
| multipole_struct_small | |
| MyMolInfo | |
| neighbor_basisfunc_struct | |
| NeighbourList | |
| LR::OneElOperator | Abstract interface to a one electron operator |
| CI::Options | |
| SCF::Options | |
| SCF::OutputOptions | |
| pair_status_struct | |
| JK::Params | |
| mat::Params | |
| per::Perturbation< Treal, Tmatrix, Tvector > | |
| point_3d_struct | |
| poly_12_struct | |
| poly_12_term_struct | |
| poly_1d_struct_symb | |
| poly_1d_term_struct_symb | |
| poly_3d_struct_symb | |
| poly_3d_term_struct_symb | |
| polydeg1struct | |
| pqrs_struct | |
| mat::Purification< Treal, Tmatrix, TdebugPolicy > | |
| mat::PuriInfo< Treal, Tvector, TdebugPolicy > | Contains information about a purification process |
| mat::PuriStepInfo< Treal, Tvector, TdebugPolicy > | Contains information about the matrix before a purification step and about the step |
| mat::PuriStepInfoDebug< Treal, TdebugPolicy > | |
| mat::PuriStepInfoDebug< Treal, DebugLevelHigh > | |
| RadialGrid | A grid describing a radial grid for an atom with a specific charge |
| RadialScheme | RadialScheme describes the radial grid |
| RadialSchemeGC2 | |
| RadialSchemeLMG | |
| RadialSchemeTurbo | |
| RandomNumber | |
| RGFirstDrv | |
| RGFourthDrv | |
| RGSecondDrv | |
| RGThirdDrv | |
| rhoTreeNode_ | |
| SCF_general | |
| SCF_restricted | |
| SCF_statistics | |
| SCF_timer | |
| SCF_unrestricted | |
| SecondDrv | |
| setFromFullRule< Treal > | |
| LR::SetOfEqSolver | Iterative Set Of Linear Equations solver, extending the generic LRSolver |
| ShellSpecStruct_ | |
| ShellSpecStructWithExtent | |
| ShellTree | Class that allows to find in NLogN time all shells that overlap with a given box |
| mat::SingletonForTimings | |
| mat::SizesAndBlocks | Describes dimensions of matrix and its blocks on all levels |
| SlaterDet_pair_struct | |
| SlaterDet_struct | |
| LR::SmallMatrix | Class implementing dynamic resized two dimensional arrays |
| LR::SmallMatrix::RowProxy | |
| SO_struct | |
| SparseMatrix | Sparse matrix structure optimized for XC data access pattern |
| SparseMatrix::Exception | |
| SparseMatrixWrapper | |
| SparsePattern | A way to store sparse matrix patterns |
| SparsePattern::Column | |
| SparsePattern::Column::Iterator | |
| SparsePattern::Interval | Ranges are upper-exclusive: involve i: lo <= i < hi |
| SquareFuncIntegrator | Provides temporary storage for compute_integral_of_square_of_basis_func |
| Stream | Streamlined, abstract grid generation class |
| StreamSaveContext | Saves the grid saving context |
| Sum< Treal > | |
| symb_matrix_element | |
| mat::TC2< Treal, Tmatrix > | Trace correcting purification |
| mat::TC2< Treal, Tmatrix >::Fun | Help class for bisection root finding calls |
| TdebugPolicy | |
| ThreadInfo | |
| mat::Time | |
| mat::TripleMatrix< Tmatrix, Tmatrix2, Treal > | |
| two_idx_SO_struct | |
| uks_data | |
| unique_exponent_struct | |
| uxc_data | |
| mat::ValidPtr< Tobj > | Smart pointer class to control access to object |
| variable | Describes a variable recognized by the scripting system |
| LR::VarVector | Vector of variables parametrising the solution to the linear response equations |
| LR::VarVectorCollection | Collection of vectors, usually handled at once |
| LR::VarVectorProxyOp< MultByS, SwapXY > | Template based proxy object that uses bool-valued policies to perform the assignments |
| mat::Vector< Treal, Telement > | Vector class |
| Vector3D | A representation of Vector or point in cartesian space |
| mat::Vector< Treal > | |
| mat::VectorGeneral< Treal, Tvector > | |
| mat::VectorHierarchicBase< Treal, Telement > | Base class for Vector and Vector specialization |
| vwn_params | |
| Vxc_worker | |
| working_directory_struct | |
| xc_data | |
| XcData | |
| XCDistributorGgaBlas | |
| XCDistributorLdaBlas | |
| XCEvaluator | |
| XCEvaluatorRestricted | |
| XCEvaluatorUnrestricted | |
| mat::XmY< TX, TY > | This proxy expresses the result of substraction of two objects, of possibly different types, TX and TY |
| mat::XpY< TX, TY > | This proxy expresses the result of addition of two objects, of possibly different types, TX and TY |
| mat::Xtrans< TX > | This proxy expresses the result of transposition of an object of type TX |
| mat::XY< TX, TY > | This proxy expresses the result of multiplication of two objects, of possibly different types, TX and TY |
| mat::XYZ< TX, TY, TZ > | This proxy expresses the result of multiplication of three objects, of possibly different types, TX, TY, and TZ |
| mat::XYZpUV< TX, TY, TZ, TU, TV > | This proxy expresses the result of multiplication of three objects added to two other multiplied objects |
| yy_buffer_state | |
| yy_trans_info | |
| yyalloc | |
| YYSTYPE | |
