 CI | |
  Options | |
 Dft | |
  Matrix | Generic matrix interface |
  FullMatrix | |
  HiCuGridParams | A structure describing the HiCu grid settings |
  GridParams | A structure describing the grid settings |
 DM | |
 JK | |
  ExchWeights | |
  Params | |
 LR | |
  VarVectorProxyOp | Template based proxy object that uses bool-valued policies to perform the assignments |
  VarVector | Vector of variables parametrising the solution to the linear response equations |
  E2Evaluator | E2Evaluator interface provides a way to perform a linear transformation of supplied transition density matrix |
  VarVectorCollection | Collection of vectors, usually handled at once |
  OneElOperator | Abstract interface to a one electron operator |
  SmallMatrix | Class implementing dynamic resized two dimensional arrays |
   RowProxy | |
  LRSolver | Linear Response iterative solver using a variant of the Davidson method |
  SetOfEqSolver | Iterative Set Of Linear Equations solver, extending the generic LRSolver |
  EigenSolver | Iterative Eigenvalue solver, extending the generic LRSolver |
 mat | |
  arn | |
   Lanczos | Class template for building Krylov subspaces with Lanczos |
   LanczosLargestMagnitudeEig | |
   LanczosLargestMagnitudeEigIfSmall | |
   MatrixTridiagSymmetric | Tridiagonal symmetric matrix class template |
  DebugLevelHigh | |
  DebugLevelMedium | |
  DebugLevelLow | |
  Failure | |
  Acceptable | |
  AcceptableMaxIter | |
  FileWritable | Write and read objects to/from file |
   Manager | |
   Stats | |
  Gblas | |
  Interval | |
  DiffMatrix | |
  ATAMatrix | |
  TripleMatrix | |
  CongrTransErrorMatrix | |
  Params | |
  Time | |
  MemUsage | |
   Values | |
  Vector | Vector class |
  AccessMap | |
  SingletonForTimings | |
  Matrix | Matrix class and heart of the matrix library |
  Matrix< Treal > | |
  XY | This proxy expresses the result of multiplication of two objects, of possibly different types, TX and TY |
  XYZ | This proxy expresses the result of multiplication of three objects, of possibly different types, TX, TY, and TZ |
  XYZpUV | This proxy expresses the result of multiplication of three objects added to two other multiplied objects |
  Xtrans | This proxy expresses the result of transposition of an object of type TX |
  XpY | This proxy expresses the result of addition of two objects, of possibly different types, TX and TY |
  XmY | This proxy expresses the result of substraction of two objects, of possibly different types, TX and TY |
  MatrixGeneral | Normal matrix |
  MatrixSymmetric | Symmetric matrix |
  MatrixTriangular | Upper non-unit triangular matrix |
  VectorGeneral | |
  MatrixBase | Base class for matrix API |
  MatrixHierarchicBase | Base class for Matrix and Matrix specialization |
  Purification | |
  PuriInfo | Contains information about a purification process |
  PuriStepInfo | Contains information about the matrix before a purification step and about the step |
  PuriStepInfoDebug | |
  PuriStepInfoDebug< Treal, DebugLevelHigh > | |
  SizesAndBlocks | Describes dimensions of matrix and its blocks on all levels |
  TC2 | Trace correcting purification |
   Fun | Help class for bisection root finding calls |
  EuclTruncationBase | |
  EuclTruncationSymm | Truncation of symmetric matrices |
  EuclTruncationSymmWithZ | Truncation of symmetric matrices with Z |
  EuclTruncationSymmElementLevel | Truncation of symmetric matrices at the element level (used for mixed norm truncation) |
  EuclTruncationGeneral | Truncation of general matrices |
  EuclTruncationCongrTransMeasure | Truncation of general matrices with impact on matrix triple multiply as error measure |
  ValidPtr | Smart pointer class to control access to object |
  Vector< Treal > | |
  VectorHierarchicBase | Base class for Vector and Vector specialization |
 per | |
  Perturbation | |
 SCF | |
  Options | |
  MatOptions | An object respresenting the configuration of the matrix library |
  OutputOptions | |
 abalpha_struct | |
 abcd_struct | |
 ActiveBfShells | A class that is able to quickly determine the active shells that overlap with given box in space |
 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 | |
 ComplexMatrix | |
 compute_grid_for_box_params_struct | |
 compute_grid_thread_func_struct | |
 ComputeGridResultValuesStruct | |
 contrib_debug_struct | |
 CSR_element_struct | |
 csr_index_pair_struct | |
 csr_matrix_row_struct | |
 csr_matrix_struct | |
 DensfitData | |
 densityFileHeaderStruct | |
 DensitySpecStruct | |
 DftGridReader | |
 DftIntegratorBl_ | |
 DIISManager | |
 DIISManagerRestricted | |
 DIISManagerUnrestricted | |
 distr_group_struct | |
 distr_idxs_and_factor_struct | |
 distr_list_description_struct | |
 distr_org_struct | |
 DistributionSpecStruct_ | |
 DistributionSpecStructLabeled | |
 DistributionSpecStructWithPairIdx | |
 dmatElementStruct | |
 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 | |
 ExponentList | |
 expRule | |
 FCAccumulator | |
 FileMatrix | |
 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 | |
 FullMatrixWrapper | |
 FuncList_ | |
 Functional_ | |
 FunctionalList | |
 FunDensProp_ | |
 FunFirstFuncDrv | |
 FunFourthFuncDrv | |
 FunSecondFuncDrv | |
 FunThirdFuncDrv | |
 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 |
 group_struct | |
 hermite_conversion_contrib_struct | |
 hermite_conversion_info_struct | |
 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 | |
 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 | |
 LinData | |
 LinRespBlData | |
 listsStruct | |
 MatAccInvestigator | |
 matrix_description_struct | |
 matrix_utilities_CompareClass | |
 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 | |
 pair_status_struct | |
 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_ | |
 SCF_general | |
 SCF_restricted | |
 SCF_statistics | |
 SCF_timer | |
 SCF_unrestricted | |
 SecondDrv | |
 setFromFullRule | |
 ShellSpecStruct_ | |
 ShellSpecStructWithExtent | |
 ShellTree | Class that allows to find in NLogN time all shells that overlap with a given box |
 SlaterDet_pair_struct | |
 SlaterDet_struct | |
 SO_struct | |
 SparseMatrix | Sparse matrix structure optimized for XC data access pattern |
  Exception | |
 SparseMatrixWrapper | |
 SparsePattern | A way to store sparse matrix patterns |
  Column | |
   Iterator | |
  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 | |
 symb_matrix_element | |
 ThreadInfo | |
 two_idx_SO_struct | |
 uks_data | |
 unique_exponent_struct | |
 uxc_data | |
 variable | Describes a variable recognized by the scripting system |
 Vector3D | A representation of Vector or point in cartesian space |
 vwn_params | |
 Vxc_worker | |
 working_directory_struct | |
 xc_data | |
 XcData | |
 XCDistributorGgaBlas | |
 XCDistributorLdaBlas | |
 XCEvaluator | |
 XCEvaluatorRestricted | |
 XCEvaluatorUnrestricted | |
 yy_buffer_state | |
 yy_trans_info | |
 yyalloc | |
 YYSTYPE | |