ergo
Class Hierarchy
This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 1234]
oCabcd_struct
oCmat::AccessMap< Tperm >
oCActiveBfShellsA class that is able to quickly determine the active shells that overlap with given box in space
oCmat::Allocator< Treal >
oCmat::AllocatorManager< Treal >
oCMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_ROWS_kernel, T_COLS_kernel, T_ordering_kernel, T_repetitions >::Assign_to_packed< T_ordering_matrix >
oCmat::ATAMatrix< Tmatrix, Treal >
oCAtomSimple atom representation by its charge and cartesian coordinates
oCatom_box_struct
oCAtomicGrid
oCBall
oCbasis_func_group_info_for_box
oCbasis_func_index_pair_struct
oCbasis_func_index_pair_struct_1el
oCbasis_func_pair_struct
oCbasis_func_poly_struct
oCbasis_func_term_struct
oCbasis_set_range_struct
oCbasisFuncGroupPairStruct
oCBasisFuncStruct
oCBasisInfoStruct
oCbasisset_atom_struct
oCbasisset_info
oCbasisset_shell_struct
oCBasissetNameRange
oCbatch_struct
oCBoxClass Box provides an ability to determine box containing all Objects
oCbox_item_struct
oCbox_level_struct
oCbox_struct
oCbox_struct_basic
oCBoxPartitioner"Block" partitioning is the only one implemented now..
oCBoxStruct_
oCBoxSystem
oCBoysFuncIntervalSetStruct
oCBoysFuncIntervalStruct
oCBoysFunctionManager
oCcluster_struct
oCSparsePattern::Column
oCCompareClass< RandomAccessIterator >
oCCompileTimeChecker< bool >Class template for use in static asserts
oCCompileTimeChecker< false >Specialization of class template for use in static asserts
oCComplexMatrix
oCcompute_grid_for_box_params_struct
oCcompute_grid_thread_func_struct
oCComputeGridResultValuesStruct
oCmat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >
oCcontrib_debug_struct
oCcsr_index_pair_struct
oCcsr_matrix_row_struct
oCcsr_matrix_struct
oCdistr_org_struct::Data
oCdistr_org_mm_struct::Data
oCmat::DebugLevelHigh
oCdensityFileHeaderStruct
oCDensitySpecStruct
oCDensMatInfo
oCDftGridReader
oCDftIntegratorBl_
oCmat::DiffMatrix< Tmatrix, Treal >
oCDIISManager
oCdistr_group_struct
oCdistr_idxs_and_factor_struct
oCdistr_list_description_struct
oCdistr_org_mm_struct
oCdistr_org_struct
oCDistributionSpecStruct
oCDistributionSpecStructLabeled
oCDistributionSpecStructWithIndexes
oCDistributionSpecStructWithIndexes2
oCdmatElementStruct
oCLR::E2EvaluatorE2Evaluator interface provides a way to perform a linear transformation of supplied transition density matrix
oCErgoAn object representing the state of the input processor
oCergo_barrier
oCmat::EuclTruncationBase< Tmatrix, Treal >
oCexception
oCJK::ExchWeights
oCExponentList
oCexpRule< Treal >
oCMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_ROWS_kernel, T_COLS_kernel, T_ordering_kernel, T_repetitions >::Extract_from_packed< T_ordering_matrix >
oCFCAccumulator
oCfilename_or_string_struct
oCmat::FileWritableWrite and read objects to/from file
oCFirstDrvA vector of first order derivatives with respect to two parameters: density rho and SQUARE of the gradient of density grho
oCfour_idx_AO_struct
oCfour_idx_SO_struct
oCDft::FullMatrix
oCmat::TC2< Treal, Tmatrix >::FunHelp class for bisection root finding calls
oCFuncList_
oCFunctional_
oCFunctionalList
oCFunDensProp_
oCFunFirstFuncDrv
oCFunFourthFuncDrv
oCFunSecondFuncDrv
oCFunThirdFuncDrv
oCmat::Gblas
oCOrdering_row_wise::Get< T_row, T_col, T_rows, T_cols >
oCOrdering_col_wise::Get< T_row, T_col, T_rows, T_cols >
oCGetDensFromFockGetDensFromFock class containing parameters and functions for computing density matrix
oCGridGenerationParamsStruct
oCGridGenMolInfoGridGenMolInfo is an abstract class providing information about the molecule so that the grid generator can fetch atom positions and charges, and shell extents
oCDft::GridParamsA structure describing the grid settings
oCgroup_struct
oChermite_conversion_contrib_struct
oChermite_conversion_element_struct
oChermite_conversion_info_struct
oCDft::HiCuGridParamsA structure describing the HiCu grid settings
oChost_name_struct
oCi_j_val_struct
oCidentify_needed_elements_thread_struct
oCIntegralInfoContains coefficients needed for quick integral evaluation
oCIntegratorCase
oCIntegratorWithMemory
oCMMLimitTable::interaction_matrix_limit_range_struct
oCMMLimitTable::interaction_matrix_limit_struct
oCSparsePattern::IntervalRanges are upper-exclusive: involve i: lo <= i < hi
oCmat::Interval< Treal >
oCmat::Interval< ergo_real >
oCIterationInfo
oCSparsePattern::Column::Iterator
oCJ_std_joblist_thread_struct
oCJFMMWorkerData
oCJK_contribs_buffer_struct
oCjob_list_entry_K_struct
oCjob_list_multipole_entry_J_struct
oCjob_list_standard_entry_J_struct
oCJworker
oCJworkertest
oCK_joblist_thread_struct
oCKsData< Matrix >Structure describing the data needed by distributors
oCKworker
oCMultipolePrepManager::l_m_struct
oCmat::arn::Lanczos< Treal, Tmatrix, Tvector >Class template for building Krylov subspaces with Lanczos
oCmat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
oCLinData
oCLinRespBlData
oClistsStruct
oCMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Loop< T_loop_index, T_end >
oCMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Loop< T_end, T_end >
oCLR::LRSolverLinear Response iterative solver using a variant of the Davidson method
oCmat::FileWritable::Manager
oCMatAccInvestigator< Treal, Tworker >
oCSCF::MatOptionsAn object respresenting the configuration of the matrix library
oCDft::Matrix
oCmatrix_description_struct
oCmatrix_utilities_CompareClass< RandomAccessIterator >
oCmat::MatrixHierarchicBase< Treal, Telement >Base class for Matrix and Matrix specialization
oCmat::MatrixHierarchicBase< Treal >
oCMatrixParamsType
oCmat::arn::MatrixTridiagSymmetric< Treal >Tridiagonal symmetric matrix class template
oCMatVecMul
oCmaxMomentVectorNormStruct
oCmat::MemUsage
oCminimal_distr_struct
oCMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >Matrix multiplication template for architectures with SSE2 or higher and compilers that support C++ intrinsics for access to SSE instructions
oCMM_kernel_outer_A< T_gemm_kernel, T_M_block, T_N_block >Template for matrix matrix multiplication that wraps around a kernel given as template argument
oCMMInteractor
oCMMLimitTable
oCMMTranslator
oCMoleculeRepresentation of a molecule as a set of nuclei and total charge
oCmonomial_info_struct
oCmonomial_struct
oCmultipole_struct_large
oCmultipole_struct_small
oCMultipolePrepManager
oCneighbor_basisfunc_struct
oCNeighbourList
oCLR::OneElOperatorAbstract interface to a one electron operator
oCCI::Options
oCSCF::Options
oCOrdering_col_wiseStruct for access to matrix elements stored in column wise order
oCOrdering_row_wiseStruct for access to matrix elements stored in row wise order
oCSCF::OutputOptions
oCMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_ROWS_kernel, T_COLS_kernel, T_ordering_kernel, T_repetitions >Template for packing of matrix elements
oCMM_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 >Template for for translations between unpacked and packed matrix storage
oCpair_status_struct
oCmat::Params
oCJK::Params
oCED::Params
oCper::Perturbation< Treal, Tmatrix, Tvector >
oCpoint_3d_struct
oCpoly_12_struct
oCpoly_12_term_struct
oCpoly_1d_struct_symb
oCpoly_1d_term_struct_symb
oCpoly_3d_struct_symb
oCpoly_3d_term_struct_symb
oCpolydeg1struct
oCpqrs_struct
oCPurificationGeneral< MatrixType >PurificationGeneral is an abstract class which provides an interface for SP2, SP2ACC and possibly other recursive expansions
oCPuriInfo
oCRadialGridA grid describing a radial grid for an atom with a specific charge
oCRadialSchemeRadialScheme describes the radial grid
oCRandomNumber
oCResultMatContrib
oCRGFirstDrv
oCRGFourthDrv
oCRGSecondDrv
oCRGThirdDrv
oCrhoTreeNode_
oCResultMatContrib::RowColVal
oCLR::SmallMatrix::RowProxy
oCSCF_general
oCSCF_statistics
oCSCF_timer
oCSecondDrv
oCsetFromFullRule< Treal >
oCSetOfDistrsForV
oCSetOfDistrsForVInfo
oCShellSpecStruct
oCShellSpecStructWithExtent
oCShellTreeClass that allows to find in NLogN time all shells that overlap with a given box
oCmat::SingletonForTimings
oCmat::SizesAndBlocksDescribes dimensions of matrix and its blocks on all levels
oCSlaterDet_pair_struct
oCSlaterDet_struct
oCLR::SmallMatrixClass implementing dynamic resized two dimensional arrays
oCSO_struct
oCSparseMatrixSparse matrix structure optimized for XC data access pattern
oCSparsePatternA way to store sparse matrix patterns
oCSquareFuncIntegratorProvides temporary storage for compute_integral_of_square_of_basis_func
oCmat::FileWritable::Stats
oCStream
oCStreamStreamlined, abstract grid generation class
oCStreamSaveContextSaves the grid saving context
oCSum< Treal >
oCsymb_matrix_element
oCmat::TC2< Treal, Tmatrix >Trace correcting purification
oCtemplate Assign_to_packed
oCtemplate Extract_from_packed
oCThreadInfo
oCmat::Time
oCUtil::TimeMeterTime-measuring class
oCmat::TripleMatrix< Tmatrix, Tmatrix2, Treal >
oCtwo_idx_SO_struct
oCuks_data
oCUksData< Matrix >
oCunique_exponent_struct
oCuxc_data
oCmat::ValidPtr< Tobj >Smart pointer class to control access to object
oCmat::ValidPtr< Tmatrix >
oCmat::ValidPtr< Tvector >
oCmat::ValidPtr< Vectorrr >
oCmat::MemUsage::Values
oCvariableDescribes a variable recognized by the scripting system
oCLR::VarVectorVector of variables parametrising the solution to the linear response equations
oCLR::VarVectorCollectionCollection of vectors, usually handled at once
oCLR::VarVectorProxyOp< MultByS, SwapXY >Template based proxy object that uses bool-valued policies to perform the assignments
oCVector3DA representation of Vector or point in cartesian space
oCVector_intrin< Treal, Treg >Vector class template for access to SIMD operations
oCVector_intrin< Treal, Treal >
oCmat::VectorHierarchicBase< Treal, Telement >Base class for Vector and Vector specialization
oCmat::VectorHierarchicBase< Treal >
oCvwn_params
oCVxc_worker
oCworking_directory_struct
oCxc_data
oCXcData
oCXCDistributorGga< Matrix >Distributes a GGA-type xc potential over the XC-matrix elements
oCXCDistributorGgaBlas
oCXCDistributorGgaU< Matrix >
oCXCDistributorLda< Matrix >Distributes a LDA-type xc potential over the XC-matrix elements, with optimization for a closed shell case
oCXCDistributorLdaBlas
oCXCEvaluator
oCmat::XmY< TX, TY >This proxy expresses the result of substraction of two objects, of possibly different types, TX and TY
oCmat::XpY< TX, TY >This proxy expresses the result of addition of two objects, of possibly different types, TX and TY
oCmat::Xtrans< TX >This proxy expresses the result of transposition of an object of type TX
oCmat::XY< TX, TY >This proxy expresses the result of multiplication of two objects, of possibly different types, TX and TY
oCmat::XYZ< TX, TY, TZ >This proxy expresses the result of multiplication of three objects, of possibly different types, TX, TY, and TZ
oCmat::XYZpUV< TX, TY, TZ, TU, TV >This proxy expresses the result of multiplication of three objects added to two other multiplied objects
oCyy_buffer_state
oCyy_trans_info
oCyyalloc
\CYYSTYPE