 abalpha_struct | |
 abcd_struct | |
 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 | |
 SparsePattern::Column | |
 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::DebugLevelMedium | |
   mat::DebugLevelLow | |
  mat::PuriStepInfoDebug< Treal, DebugLevelHigh > | |
 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 |
  ErgoE2Evaluator | ErgoE2Evaluator implements the linear tranformation of the trial vector/transition density matrix by the E[2] operator |
 Ergo | An object representing the state of the input processor |
 ergo_barrier | |
 ErgoGridStream | Ergo-specific GridStream implementation |
 mat::EuclTruncationBase< Tmatrix, Treal > | |
  mat::EuclTruncationGeneral< Tmatrix, Treal > | Truncation of general matrices |
   mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal > | Truncation of general matrices with impact on matrix triple multiply as error measure |
  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 |
 SparseMatrix::Exception | |
 JK::ExchWeights | |
 ExponentList | |
 expRule< Treal > | |
 mat::Failure | |
  mat::Acceptable | |
   mat::AcceptableMaxIter | |
 FCAccumulator | |
 FileMatrix< Treal, TMatrixType > | |
 mat::FileWritable | Write and read objects to/from file |
  mat::MatrixBase< Treal, Tmatrix > | Base class for matrix API |
   mat::MatrixGeneral< Treal, Tmatrix > | Normal matrix |
   mat::MatrixSymmetric< Treal, Tmatrix > | Symmetric matrix |
   mat::MatrixTriangular< Treal, Tmatrix > | Upper non-unit triangular matrix |
  mat::VectorGeneral< Treal, Tvector > | |
 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 | |
 mat::TC2< Treal, Tmatrix >::Fun | Help class for bisection root finding calls |
 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 |
  ErgoMolInfo | Ergo specific implementation of molecule-grid interface |
  MyMolInfo | |
  MyMolInfo | |
 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 | |
 SparsePattern::Interval | Ranges are upper-exclusive: involve i: lo <= i < hi |
 mat::Interval< Treal > | |
 SparsePattern::Column::Iterator | |
 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 |
  LR::EigenSolver | Iterative Eigenvalue solver, extending the generic LRSolver |
  LR::SetOfEqSolver | Iterative Set Of Linear Equations solver, extending the generic LRSolver |
 mat::FileWritable::Manager | |
 MatAccInvestigator< Treal, Tworker > | |
 SCF::MatOptions | An object respresenting the configuration of the matrix library |
 Dft::Matrix | Generic matrix interface |
  FullMatrixWrapper | |
  SparseMatrixWrapper | |
 matrix_description_struct | |
 matrix_utilities_CompareClass< RandomAccessIterator > | |
 mat::MatrixHierarchicBase< Treal, Telement > | Base class for Matrix and Matrix specialization |
  mat::Matrix< Treal, Telement > | Matrix class and heart of the matrix library |
 mat::MatrixHierarchicBase< Treal > | |
  mat::Matrix< Treal > | |
 mat::arn::MatrixTridiagSymmetric< Treal > | Tridiagonal symmetric matrix class template |
 mat::MemUsage | |
 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 | |
 neighbor_basisfunc_struct | |
 NeighbourList | |
 LR::OneElOperator | Abstract interface to a one electron operator |
  ErgoOperator | |
 SCF::Options | |
 CI::Options | |
 SCF::OutputOptions | |
 pair_status_struct | |
 mat::Params | |
 JK::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 | |
 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_ | |
 LR::SmallMatrix::RowProxy | |
 SCF_general | |
  SCF_restricted | |
  SCF_unrestricted | |
 SCF_statistics | |
 SCF_timer | |
 SecondDrv | |
 setFromFullRule< Treal > | |
 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 |
 SO_struct | |
 SparseMatrix | Sparse matrix structure optimized for XC data access pattern |
 SparsePattern | A way to store sparse matrix patterns |
 SquareFuncIntegrator | Provides temporary storage for compute_integral_of_square_of_basis_func |
 mat::FileWritable::Stats | |
 Stream | Streamlined, abstract grid generation class |
 StreamSaveContext | Saves the grid saving context |
 Sum< Treal > | |
 symb_matrix_element | |
 mat::TC2< Treal, Tmatrix > | Trace correcting purification |
 TdebugPolicy | |
  mat::Purification< Treal, Tmatrix, TdebugPolicy > | |
  mat::PuriInfo< Treal, Tvector, TdebugPolicy > | Contains information about a purification process |
  mat::PuriStepInfoDebug< Treal, TdebugPolicy > | |
   mat::PuriStepInfo< Treal, Tvector, TdebugPolicy > | Contains information about the matrix before a purification step and about the step |
 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 |
 mat::MemUsage::Values | |
 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 |
 Vector3D | A representation of Vector or point in cartesian space |
 mat::VectorHierarchicBase< Treal, Telement > | Base class for Vector and Vector specialization |
  mat::Vector< Treal, Telement > | Vector class |
 mat::VectorHierarchicBase< Treal > | |
  mat::Vector< Treal > | |
 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 | |