Cabcd_struct | |
Cmat::AccessMap< Tperm > | |
CActiveBfShells | A class that is able to quickly determine the active shells that overlap with given box in space |
Cmat::Allocator< Treal > | |
Cmat::AllocatorManager< Treal > | |
CMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_rows, T_cols, T_ordering_kernel, T_repetitions >::Assign_to_packed< T_ordering_matrix > | |
Cmat::ATAMatrix< Tmatrix, Treal > | |
CAtom | Simple atom representation by its charge and cartesian coordinates |
Catom_box_struct | |
CAtomicGrid | |
CBall | |
Cbasis_func_group_info_for_box | |
Cbasis_func_index_pair_struct | |
Cbasis_func_index_pair_struct_1el | |
Cbasis_func_pair_struct | |
Cbasis_func_poly_struct | |
Cbasis_func_term_struct | |
Cbasis_set_range_struct | |
CbasisFuncGroupPairStruct | |
CBasisFuncStruct | |
CBasisInfoStruct | |
Cbasisset_atom_struct | |
Cbasisset_info | |
Cbasisset_shell_struct | |
CBasissetNameRange | |
Cbatch_struct | |
CBox | Class Box provides an ability to determine box containing all Objects |
Cbox_item_struct | |
Cbox_level_struct | |
Cbox_struct | |
Cbox_struct_basic | |
CBoxPartitioner | "Block" partitioning is the only one implemented now.. |
CBoxStruct_ | |
CBoxSystem | |
CBoysFuncIntervalSetStruct | |
CBoysFuncIntervalStruct | |
CBoysFunctionManager | |
Ccluster_struct | |
CSparsePattern::Column | |
CCompareClass< RandomAccessIterator > | |
CCompileTimeChecker< bool > | Class template for use in static asserts |
CCompileTimeChecker< false > | Specialization of class template for use in static asserts |
CComplexMatrix | |
Ccompute_grid_for_box_params_struct | |
Ccompute_grid_thread_func_struct | |
CComputeGridResultValuesStruct | |
Cmat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal > | |
Ccontrib_debug_struct | |
Ccsr_index_pair_struct | |
Ccsr_matrix_row_struct | |
Ccsr_matrix_struct | |
Cdistr_org_struct::Data | |
Cdistr_org_mm_struct::Data | |
▶Cmat::DebugLevelHigh | |
▶Cmat::DebugLevelMedium | |
Cmat::DebugLevelLow | |
CdensityFileHeaderStruct | |
CDensitySpecStruct | |
CDensMatInfo | |
CDftGridReader | |
CDftIntegratorBl_ | |
Cmat::DiffMatrix< Tmatrix, Treal > | |
▶CDIISManager | |
CDIISManagerRestricted | |
CDIISManagerUnrestricted | |
Cdistr_group_struct | |
Cdistr_idxs_and_factor_struct | |
Cdistr_list_description_struct | |
Cdistr_org_mm_struct | |
Cdistr_org_struct | |
CDistributionSpecStruct | |
CDistributionSpecStructLabeled | |
CDistributionSpecStructWithIndexes | |
CDistributionSpecStructWithIndexes2 | |
CdmatElementStruct | |
▶CLR::E2Evaluator | E2Evaluator interface provides a way to perform a linear transformation of supplied transition density matrix |
CErgoE2Evaluator | ErgoE2Evaluator implements the linear tranformation of the trial vector/transition density matrix by the E[2] operator |
CErgo | An object representing the state of the input processor |
Cergo_barrier | |
▶Cmat::EuclTruncationBase< Tmatrix, Treal > | |
▶Cmat::EuclTruncationGeneral< Tmatrix, Treal > | Truncation of general matrices |
Cmat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal > | Truncation of general matrices with impact on matrix triple multiply as error measure |
▶Cmat::EuclTruncationSymm< Tmatrix, Treal > | Truncation of symmetric matrices |
Cmat::EuclTruncationSymmElementLevel< Tmatrix, Treal > | Truncation of symmetric matrices at the element level (used for mixed norm truncation) |
Cmat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal > | Truncation of symmetric matrices with Z |
▶Cexception | |
▶Cmat::Failure | |
▶Cmat::Acceptable | |
Cmat::AcceptableMaxIter | |
CSparseMatrix::Exception | |
CJK::ExchWeights | |
CExponentList | |
CexpRule< Treal > | |
CMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_rows, T_cols, T_ordering_kernel, T_repetitions >::Extract_from_packed< T_ordering_matrix > | |
CFCAccumulator | |
Cfilename_or_string_struct | |
▶Cmat::FileWritable | Write and read objects to/from file |
▶Cmat::MatrixBase< Treal, Tmatrix > | Base class for matrix API |
Cmat::MatrixGeneral< Treal, Tmatrix > | Normal matrix |
Cmat::MatrixSymmetric< Treal, Tmatrix > | Symmetric matrix |
Cmat::MatrixTriangular< Treal, Tmatrix > | Upper non-unit triangular matrix |
Cmat::VectorGeneral< Treal, Tvector > | |
Cmat::VectorGeneral< ergo_real, Vectorrr > | |
CFirstDrv | A vector of first order derivatives with respect to two parameters: density rho and SQUARE of the gradient of density grho |
Cfour_idx_AO_struct | |
Cfour_idx_SO_struct | |
CDft::FullMatrix | |
Cmat::TC2< Treal, Tmatrix >::Fun | Help class for bisection root finding calls |
CFuncList_ | |
CFunctional_ | |
CFunctionalList | |
CFunDensProp_ | |
CFunFirstFuncDrv | |
CFunFourthFuncDrv | |
CFunSecondFuncDrv | |
CFunThirdFuncDrv | |
Cmat::Gblas | |
COrdering_row_wise::Get< T_row, T_col, T_rows, T_cols > | |
COrdering_col_wise::Get< T_row, T_col, T_rows, T_cols > | |
CGetDensFromFock | GetDensFromFock class containing parameters and functions for computing density matrix |
CGridGenerationParamsStruct | |
▶CGridGenMolInfo | GridGenMolInfo is an abstract class providing information about the molecule so that the grid generator can fetch atom positions and charges, and shell extents |
CErgoMolInfo | Ergo specific implementation of molecule-grid interface |
CMyMolInfo | |
CMyMolInfo | |
CDft::GridParams | A structure describing the grid settings |
Cgroup_struct | |
Chermite_conversion_contrib_struct | |
Chermite_conversion_element_struct | |
Chermite_conversion_info_struct | |
CDft::HiCuGridParams | A structure describing the HiCu grid settings |
Chost_name_struct | |
Ci_j_val_struct | |
Cidentify_needed_elements_thread_struct | |
CIntegralInfo | Contains coefficients needed for quick integral evaluation |
CIntegratorCase | |
CIntegratorWithMemory | |
CMMLimitTable::interaction_matrix_limit_range_struct | |
CMMLimitTable::interaction_matrix_limit_struct | |
CSparsePattern::Interval | Ranges are upper-exclusive: involve i: lo <= i < hi |
Cmat::Interval< Treal > | |
Cmat::Interval< ergo_real > | |
CIterationInfo | |
CSparsePattern::Column::Iterator | |
CJ_std_joblist_thread_struct | |
CJFMMWorkerData | |
CJK_contribs_buffer_struct | |
Cjob_list_entry_K_struct | |
Cjob_list_multipole_entry_J_struct | |
Cjob_list_standard_entry_J_struct | |
CJworker | |
CJworkertest | |
CK_joblist_thread_struct | |
CKsData< Matrix > | Structure describing the data needed by distributors |
CKworker | |
CMultipolePrepManager::l_m_struct | |
▶Cmat::arn::Lanczos< Treal, Tmatrix, Tvector > | Class template for building Krylov subspaces with Lanczos |
▶Cmat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector > | |
Cmat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector > | |
Cmat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector > | |
CLinData | |
CLinRespBlData | |
ClistsStruct | |
CMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Loop< T_loop_index, T_end > | |
CMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Loop< T_end, T_end > | |
▶CLR::LRSolver | Linear Response iterative solver using a variant of the Davidson method |
CLR::EigenSolver | Iterative Eigenvalue solver, extending the generic LRSolver |
CLR::SetOfEqSolver | Iterative Set Of Linear Equations solver, extending the generic LRSolver |
Cmat::FileWritable::Manager | |
CMatAccInvestigator< Treal, Tworker > | |
CSCF::MatOptions | An object respresenting the configuration of the matrix library |
▶CDft::Matrix | |
CFullMatrixWrapper | |
CSparseMatrixWrapper | |
Cmatrix_description_struct | |
Cmatrix_utilities_CompareClass< RandomAccessIterator > | |
▶Cmat::MatrixHierarchicBase< Treal, Telement > | Base class for Matrix and Matrix specialization |
Cmat::Matrix< Treal, Telement > | Matrix class and heart of the matrix library |
▶Cmat::MatrixHierarchicBase< Treal > | |
Cmat::Matrix< Treal > | |
CMatrixParamsType | |
Cmat::arn::MatrixTridiagSymmetric< Treal > | Tridiagonal symmetric matrix class template |
CMatVecMul | |
CmaxMomentVectorNormStruct | |
Cmat::MemUsage | |
Cminimal_distr_struct | |
CMM_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 |
CMM_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 |
CMMInteractor | |
CMMLimitTable | |
CMMTranslator | |
CMolecule | Representation of a molecule as a set of nuclei and total charge |
Cmonomial_info_struct | |
Cmonomial_struct | |
Cmultipole_struct_large | |
Cmultipole_struct_small | |
CMultipolePrepManager | |
Cneighbor_basisfunc_struct | |
CNeighbourList | |
▶CLR::OneElOperator | Abstract interface to a one electron operator |
CErgoOperator | |
CCI::Options | |
CSCF::Options | |
COrdering_col_wise | Struct for access to matrix elements stored in column wise order |
COrdering_row_wise | Struct for access to matrix elements stored in row wise order |
CSCF::OutputOptions | |
CMM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_rows, T_cols, T_ordering_kernel, T_repetitions > | Template for packing of matrix elements |
CMM_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 |
Cpair_status_struct | |
Cmat::Params | |
CJK::Params | |
CED::Params | |
Cper::Perturbation< Treal, Tmatrix, Tvector > | |
Cpoint_3d_struct | |
Cpoly_12_struct | |
Cpoly_12_term_struct | |
Cpoly_1d_struct_symb | |
Cpoly_1d_term_struct_symb | |
Cpoly_3d_struct_symb | |
Cpoly_3d_term_struct_symb | |
Cpolydeg1struct | |
Cpqrs_struct | |
▶CPurificationGeneral< MatrixType > | PurificationGeneral is an abstract class which provides an interface for SP2, SP2ACC and possibly other recursive expansions |
CPurification_sp2< MatrixType > | Purification_sp2acc is a class which provides an interface for SP2 recursive expansion |
CPurification_sp2acc< MatrixType > | Purification_sp2acc is a class which provides an interface for SP2ACC recursive expansion |
CPuriInfo | |
CRadialGrid | A grid describing a radial grid for an atom with a specific charge |
▶CRadialScheme | RadialScheme describes the radial grid |
CRadialSchemeGC2 | |
CRadialSchemeLMG | |
CRadialSchemeTurbo | |
CRandomNumber | |
CResultMatContrib | |
CRGFirstDrv | |
CRGFourthDrv | |
CRGSecondDrv | |
CRGThirdDrv | |
CrhoTreeNode_ | |
CResultMatContrib::RowColVal | |
CLR::SmallMatrix::RowProxy | |
▶CSCF_general | |
CSCF_restricted | |
CSCF_unrestricted | |
CSCF_statistics | |
CSCF_timer | |
CSecondDrv | |
CsetFromFullRule< Treal > | |
CSetOfDistrsForV | |
CSetOfDistrsForVInfo | |
CShellSpecStruct | |
CShellSpecStructWithExtent | |
CShellTree | Class that allows to find in NLogN time all shells that overlap with a given box |
Cmat::SingletonForTimings | |
Cmat::SizesAndBlocks | Describes dimensions of matrix and its blocks on all levels |
CSlaterDet_pair_struct | |
CSlaterDet_struct | |
CLR::SmallMatrix | Class implementing dynamic resized two dimensional arrays |
CSO_struct | |
CSparseMatrix | Sparse matrix structure optimized for XC data access pattern |
CSparsePattern | A way to store sparse matrix patterns |
CSquareFuncIntegrator | Provides temporary storage for compute_integral_of_square_of_basis_func |
Cmat::FileWritable::Stats | |
▶CStream | |
CErgoGridStream | Ergo-specific GridStream implementation |
CStream | Streamlined, abstract grid generation class |
CStreamSaveContext | Saves the grid saving context |
CSum< Treal > | |
Csymb_matrix_element | |
Cmat::TC2< Treal, Tmatrix > | Trace correcting purification |
▶Ctemplate Assign_to_packed | |
CMM_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 >::Assign_to_packed< T_ordering_matrix > | |
▶Ctemplate Extract_from_packed | |
CMM_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 >::Extract_from_packed< T_ordering_matrix > | |
CThreadInfo | |
Cmat::Time | |
CUtil::TimeMeter | Time-measuring class |
Cmat::TripleMatrix< Tmatrix, Tmatrix2, Treal > | |
Ctwo_idx_SO_struct | |
Cuks_data | |
CUksData< Matrix > | |
Cunique_exponent_struct | |
Cuxc_data | |
Cmat::ValidPtr< Tobj > | Smart pointer class to control access to object |
Cmat::ValidPtr< Tmatrix > | |
Cmat::ValidPtr< Tvector > | |
Cmat::ValidPtr< Vectorrr > | |
Cmat::MemUsage::Values | |
Cvariable | Describes a variable recognized by the scripting system |
CLR::VarVector | Vector of variables parametrising the solution to the linear response equations |
CLR::VarVectorCollection | Collection of vectors, usually handled at once |
CLR::VarVectorProxyOp< MultByS, SwapXY > | Template based proxy object that uses bool-valued policies to perform the assignments |
CVector3D | A representation of Vector or point in cartesian space |
CVector_intrin< Treal, Treg > | Vector class template for access to SIMD operations |
CVector_intrin< Treal, Treal > | |
▶Cmat::VectorHierarchicBase< Treal, Telement > | Base class for Vector and Vector specialization |
Cmat::Vector< Treal, Telement > | Vector class |
▶Cmat::VectorHierarchicBase< Treal > | |
Cmat::Vector< Treal > | |
Cvwn_params | |
CVxc_worker | |
Cworking_directory_struct | |
Cxc_data | |
CXcData | |
CXCDistributorGga< Matrix > | Distributes a GGA-type xc potential over the XC-matrix elements |
CXCDistributorGgaBlas | |
CXCDistributorGgaU< Matrix > | |
CXCDistributorLda< Matrix > | Distributes a LDA-type xc potential over the XC-matrix elements, with optimization for a closed shell case |
CXCDistributorLdaBlas | |
▶CXCEvaluator | |
CXCEvaluatorRestricted | |
CXCEvaluatorUnrestricted | |
Cmat::XmY< TX, TY > | This proxy expresses the result of substraction of two objects, of possibly different types, TX and TY |
Cmat::XpY< TX, TY > | This proxy expresses the result of addition of two objects, of possibly different types, TX and TY |
Cmat::Xtrans< TX > | This proxy expresses the result of transposition of an object of type TX |
Cmat::XY< TX, TY > | This proxy expresses the result of multiplication of two objects, of possibly different types, TX and TY |
Cmat::XYZ< TX, TY, TZ > | This proxy expresses the result of multiplication of three objects, of possibly different types, TX, TY, and TZ |
Cmat::XYZpUV< TX, TY, TZ, TU, TV > | This proxy expresses the result of multiplication of three objects added to two other multiplied objects |
Cyy_buffer_state | |
Cyy_trans_info | |
Cyyalloc | |
CYYSTYPE | |