| NCI | |
| COptions | |
| NDft | |
| CFullMatrix | |
| CGridParams | A structure describing the grid settings |
| CHiCuGridParams | A structure describing the HiCu grid settings |
| CMatrix | |
| NED | |
| CParams | |
| NJK | |
| CExchWeights | |
| CParams | |
| NLR | |
| CE2Evaluator | E2Evaluator interface provides a way to perform a linear transformation of supplied transition density matrix |
| CEigenSolver | Iterative Eigenvalue solver, extending the generic LRSolver |
| CLRSolver | Linear Response iterative solver using a variant of the Davidson method |
| COneElOperator | Abstract interface to a one electron operator |
| CSetOfEqSolver | Iterative Set Of Linear Equations solver, extending the generic LRSolver |
| CSmallMatrix | Class implementing dynamic resized two dimensional arrays |
| CRowProxy | |
| CVarVector | Vector of variables parametrising the solution to the linear response equations |
| CVarVectorCollection | Collection of vectors, usually handled at once |
| CVarVectorProxyOp | Template based proxy object that uses bool-valued policies to perform the assignments |
| Nmat | |
| Narn | |
| CLanczos | Class template for building Krylov subspaces with Lanczos |
| CLanczosLargestMagnitudeEig | |
| CLanczosLargestMagnitudeEigIfSmall | |
| CLanczosSeveralLargestEig | |
| CMatrixTridiagSymmetric | Tridiagonal symmetric matrix class template |
| CAcceptable | |
| CAcceptableMaxIter | |
| CAccessMap | |
| CAllocator | |
| CAllocatorManager | |
| CATAMatrix | |
| CCongrTransErrorMatrix | |
| CDebugLevelHigh | |
| CDebugLevelLow | |
| CDebugLevelMedium | |
| CDiffMatrix | |
| CEuclTruncationBase | |
| CEuclTruncationCongrTransMeasure | Truncation of general matrices with impact on matrix triple multiply as error measure |
| CEuclTruncationGeneral | Truncation of general matrices |
| CEuclTruncationSymm | Truncation of symmetric matrices |
| CEuclTruncationSymmElementLevel | Truncation of symmetric matrices at the element level (used for mixed norm truncation) |
| CEuclTruncationSymmWithZ | Truncation of symmetric matrices with Z |
| CFailure | |
| CFileWritable | Write and read objects to/from file |
| CManager | |
| CStats | |
| CGblas | |
| CInterval | |
| CMatrix | Matrix class and heart of the matrix library |
| CMatrix< Treal > | |
| CMatrixBase | Base class for matrix API |
| CMatrixGeneral | Normal matrix |
| CMatrixHierarchicBase | Base class for Matrix and Matrix specialization |
| CMatrixSymmetric | Symmetric matrix |
| CMatrixTriangular | Upper non-unit triangular matrix |
| CMemUsage | |
| CValues | |
| CParams | |
| CSingletonForTimings | |
| CSizesAndBlocks | Describes dimensions of matrix and its blocks on all levels |
| CTC2 | Trace correcting purification |
| CFun | Help class for bisection root finding calls |
| CTime | |
| CTripleMatrix | |
| CValidPtr | Smart pointer class to control access to object |
| CVector | Vector class |
| CVector< Treal > | |
| CVectorGeneral | |
| CVectorHierarchicBase | Base class for Vector and Vector specialization |
| CXmY | This proxy expresses the result of substraction of two objects, of possibly different types, TX and TY |
| CXpY | This proxy expresses the result of addition of two objects, of possibly different types, TX and TY |
| CXtrans | This proxy expresses the result of transposition of an object of type TX |
| CXY | This proxy expresses the result of multiplication of two objects, of possibly different types, TX and TY |
| CXYZ | This proxy expresses the result of multiplication of three objects, of possibly different types, TX, TY, and TZ |
| CXYZpUV | This proxy expresses the result of multiplication of three objects added to two other multiplied objects |
| Nper | |
| CPerturbation | |
| NSCF | |
| CMatOptions | An object respresenting the configuration of the matrix library |
| COptions | |
| COutputOptions | |
| NUtil | |
| CTimeMeter | Time-measuring class |
| Cabcd_struct | |
| CActiveBfShells | A class that is able to quickly determine the active shells that overlap with given box in space |
| 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... We rename it here to Box partitioner to avoid name space conflicts |
| CBoxStruct_ | |
| CBoxSystem | |
| CBoysFuncIntervalSetStruct | |
| CBoysFuncIntervalStruct | |
| CBoysFunctionManager | |
| Ccluster_struct | |
| CCompareClass | |
| CCompileTimeChecker | 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 | |
| Ccontrib_debug_struct | |
| Ccsr_index_pair_struct | |
| Ccsr_matrix_row_struct | |
| Ccsr_matrix_struct | |
| Cdata_for_recexp | |
| CdensityFileHeaderStruct | |
| CDensitySpecStruct | |
| CDensMatInfo | |
| CDftGridReader | |
| CDftIntegratorBl_ | |
| CDIISManager | |
| CDIISManagerRestricted | |
| CDIISManagerUnrestricted | |
| Cdistr_group_struct | |
| Cdistr_idxs_and_factor_struct | |
| Cdistr_list_description_struct | |
| Cdistr_org_mm_struct | |
| CData | |
| Cdistr_org_struct | |
| CData | |
| CDistributionSpecStruct | |
| CDistributionSpecStructLabeled | |
| CDistributionSpecStructWithIndexes | |
| CDistributionSpecStructWithIndexes2 | |
| CdmatElementStruct | |
| CErgo | An object representing the state of the input processor |
| Cergo_barrier | |
| CErgoE2Evaluator | ErgoE2Evaluator implements the linear tranformation of the trial vector/transition density matrix by the E[2] operator |
| CErgoGridStream | Ergo-specific GridStream implementation |
| CErgoMolInfo | Ergo specific implementation of molecule-grid interface |
| CErgoOperator | |
| CExponentList | |
| CexpRule | |
| CFCAccumulator | |
| Cfilename_or_string_struct | |
| 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 | |
| CFullMatrixWrapper | |
| CFuncList_ | |
| CFunctional_ | |
| CFunctionalList | |
| CFunDensProp_ | |
| CFunFirstFuncDrv | |
| CFunFourthFuncDrv | |
| CFunSecondFuncDrv | |
| CFunThirdFuncDrv | |
| 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 |
| Cgroup_struct | |
| Chermite_conversion_contrib_struct | |
| Chermite_conversion_element_struct | |
| Chermite_conversion_info_struct | |
| Chost_name_struct | |
| Ci_j_val_struct | |
| Cidentify_needed_elements_thread_struct | |
| CIntegralInfo | Contains coefficients needed for quick integral evaluation |
| CIntegratorCase | |
| CIntegratorWithMemory | |
| CIterationInfo | |
| 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 | Structure describing the data needed by distributors |
| CKworker | |
| CLinData | |
| CLinRespBlData | |
| ClistsStruct | |
| CMatAccInvestigator | |
| Cmatrix_description_struct | |
| Cmatrix_utilities_CompareClass | |
| CMatrixParamsType | |
| CMatVecMul | |
| CmaxMomentVectorNormStruct | |
| Cminimal_distr_struct | |
| CMM_kernel_inner_sse2_A | Matrix multiplication template for architectures with SSE2 or higher and compilers that support C++ intrinsics for access to SSE instructions |
| CLoop | |
| CLoop< T_end, T_end > | |
| CPack | Template for packing of matrix elements |
| CAssign_to_packed | |
| CExtract_from_packed | |
| CMM_kernel_outer_A | Template for matrix matrix multiplication that wraps around a kernel given as template argument |
| CPack | Template for for translations between unpacked and packed matrix storage |
| CAssign_to_packed | |
| CExtract_from_packed | |
| CMMInteractor | |
| CMMLimitTable | |
| Cinteraction_matrix_limit_range_struct | |
| Cinteraction_matrix_limit_struct | |
| 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 | |
| Cl_m_struct | |
| CMyMolInfo | |
| Cneighbor_basisfunc_struct | |
| CNeighbourList | |
| COrdering_col_wise | Struct for access to matrix elements stored in column wise order |
| CGet | |
| COrdering_row_wise | Struct for access to matrix elements stored in row wise order |
| CGet | |
| Cpair_status_struct | |
| 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 | |
| CPurification_sp2 | Purification_sp2acc is a class which provides an interface for SP2 recursive expansion |
| CPurification_sp2acc | Purification_sp2acc is a class which provides an interface for SP2ACC recursive expansion |
| CPurificationGeneral | PurificationGeneral is an abstract class which provides an interface for SP2, SP2ACC and possibly other recursive expansions |
| 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 | |
| CRowColVal | |
| CRGFirstDrv | |
| CRGFourthDrv | |
| CRGSecondDrv | |
| CRGThirdDrv | |
| CrhoTreeNode_ | |
| CSCF_general | |
| CSCF_restricted | |
| CSCF_statistics | |
| CSCF_timer | |
| CSCF_unrestricted | |
| CSecondDrv | |
| CsetFromFullRule | |
| CSetOfDistrsForV | |
| CSetOfDistrsForVInfo | |
| CShellSpecStruct | |
| CShellSpecStructWithExtent | |
| CShellTree | Class that allows to find in NLogN time all shells that overlap with a given box |
| CSlaterDet_pair_struct | |
| CSlaterDet_struct | |
| CSO_struct | |
| CSparseMatrix | Sparse matrix structure optimized for XC data access pattern |
| CException | |
| CSparseMatrixWrapper | |
| CSparsePattern | A way to store sparse matrix patterns |
| CColumn | |
| CIterator | |
| CInterval | Ranges are upper-exclusive: involve i: lo <= i < hi |
| CSquareFuncIntegrator | Provides temporary storage for compute_integral_of_square_of_basis_func |
| CStream | Streamlined, abstract grid generation class |
| CStreamSaveContext | Saves the grid saving context |
| CSum | |
| Csymb_matrix_element | |
| CThreadInfo | |
| Ctwo_idx_SO_struct | |
| Cuks_data | |
| CUksData | |
| Cunique_exponent_struct | |
| Cuxc_data | |
| Cvariable | Describes a variable recognized by the scripting system |
| CVector3D | A representation of Vector or point in cartesian space |
| CVector_intrin | Vector class template for access to SIMD operations |
| CVector_intrin< Treal, Treal > | |
| Cvwn_params | |
| CVxc_worker | |
| Cworking_directory_struct | |
| Cxc_data | |
| CXcData | |
| CXCDistributorGga | Distributes a GGA-type xc potential over the XC-matrix elements |
| CXCDistributorGgaBlas | |
| CXCDistributorGgaU | |
| CXCDistributorLda | Distributes a LDA-type xc potential over the XC-matrix elements, with optimization for a closed shell case |
| CXCDistributorLdaBlas | |
| CXCEvaluator | |
| CXCEvaluatorRestricted | |
| CXCEvaluatorUnrestricted | |
| Cyy_buffer_state | |
| Cyy_trans_info | |
| CYYSTACKDATA | |
| CYYSTYPE | |
1.14.0