Here is a list of all documented namespaces with brief descriptions:
[detail level 1234]
| ►Nlibint2 | Defaults definitions for various parameters assumed by Libint |
| Nbraket | These objects help to construct BraketPairs |
| ►Ndetail | Most basic type – TwoPRep_11_11 – has one bfs for each particle in bra and ket |
| C__initializer | |
| Ccompressed_pair | |
| CCoreEvalScratch | Some evaluators need thread-local scratch, but most don't |
| CCoreEvalScratch< GaussianGmEval< Real, -1 > > | GaussianGmEval<Real,-1> needs extra scratch data |
| ►Cext_stack_allocator | Allocator that uses an externally-managed stack-allocated array for allocations up to max_size, for larger allocations uses heap |
| Crebind | |
| Chas_static_size | |
| Chas_static_size< std::array< T, N > > | |
| Chas_static_size< T[N]> | |
| CIsSharedPtr | |
| CIsSharedPtrHelper | Can be used to determine whether a type is a std::shared_ptr |
| CIsSharedPtrHelper< std::shared_ptr< T > > | |
| Cmanaged_singleton | |
| Cscale | |
| Cscale< Real, 2 > | |
| Cscale< Real, 4 > | |
| ►NEntityTypes | EntityTypes enumerates the types of objects Entity can represent |
| CEntityType | |
| ►Nos_core_ints | Obara-Saika core ints code |
| Cdelta_gm_eval | |
| Cerf_coulomb_gm_eval | |
| Cerfc_coulomb_gm_eval | |
| Cr12_xx_K_gm_eval | |
| ►Nsimd | Contains data types that support SIMD-style computation on vectors of numbers |
| CVector | Vector<N,T> is used by vectorized Libint library as fixed-length vectors amenable for SIMD-style parallelism Vectorization via this class should be the last-resort measure if no specialized implementation is available |
| CVectorAVXDouble | SIMD vector of 4 double-precision floating-point real numbers, operations on which use AVX instructions available on recent x86 hardware from Intel (starting with Sandy Bridge processors released in 2011) and AMD (starting with Bulldozer released in 2011) |
| CVectorAVXFloat | SIMD vector of 8 single-precision floating-point real numbers, operations on which use AVX instructions available on recent x86 hardware from Intel (starting with Sandy Bridge processors released in 2011) and AMD (starting with Bulldozer released in 2011) |
| CVectorFP2Double | SIMD vector of 2 double-precision floating-point real numbers, operations on which use FP2 (Double Hummer) instructions available on some PowerPC hardware, e.g |
| CVectorQPXDouble | SIMD vector of 4 double-precision floating-point real numbers, operations on which use QPX instructions available on some recent PowerPC hardware, e.g |
| CVectorSSEDouble | SIMD vector of 2 double-precision floating-point real numbers, operations on which use SSE2 instructions available on all recent x86 hardware |
| CVectorSSEFloat | SIMD vector of 4 single-precision floating-point real numbers, operations on which use SSE instructions available on all recent x86 hardware |
| CAbstractPurgeableStack | PurgeableStack is a container that can be purged by calling purge() method |
| CAlgebraicOperator | AlgebraicOperator is an algebraic operator that acts on objects of type T |
| Cany | Partial C++17 std::any implementation (and less efficient than can be) |
| ►CArrayBraket | ArrayBraket is a lightweight implementation of Braket concept |
| Cparent_type | There's no parent |
| CAtom | |
| Cbad_any_cast | |
| CBestFitMemoryManager | BestFitMemoryManager allocates memory by trying to find a suitable free block, which is is larger than the requested amount by at least tight_fit |
| CBFSet | Set of basis functions |
| CBraketPair | BraketPair is a trimmed down version of ArrayBraket specialized for same-particle or different-particle pairs of functions |
| CCannotAddArc | |
| CCannotPerformOperation | This exception class is used to notify that a graph operation cannot be performed |
| CCartesianMultipole_Descr | Cartesian multipole operator in NDIM dimensions  |
| CCartesianMultipoleQuanta | Represents quantum numbers of cartesian multipole operator |
| CCGF | 3D Cartesian Gaussian Function |
| CCGF1d | Cartesian components of 3D CGF = 1D CGF |
| CCGShell | 3D Cartesian Gaussian Shell |
| CCGShell1d | "shell" of 1D CGFs with quantum number L is a set of 1D CGFs with quantum numbers 0 |
| CCGShellInfo | Ordering maps for up to angular momentum lmax and ordering specified by CGShellOrderingSpec |
| ►CCGShellOrderingData | |
| CTriple | |
| CCGShellOrderingGenerator | |
| CCGShellOrderingGenerator< CGShellOrdering_GAMESS, lmax > | |
| CCGShellOrderingGenerator< CGShellOrdering_MOLDEN, lmax > | |
| CCGShellOrderingGenerator< CGShellOrdering_ORCA, lmax > | |
| CCGShellOrderingGenerator< CGShellOrdering_Standard, lmax > | |
| CChildFactory | Helps GenericRecurrenceRelation to work around the compiler problem with make_child |
| CClassInfo | Objects of this type provide limited information about the class at runtime |
| CClassRegistry | This is a unique registry of classes |
| CCodeBlock | |
| CCodeContext | CodeContext provides context for generating code |
| CCodeDoesNotExist | This exception used to indicate that some code hasn't been developed or generalized yet |
| CCodeSymbols | Class CodeSymbols specifies a set of symbols used in a code |
| CCompilationParameters | These are the parameters received by the compiler |
| CConstructablePolymorphically | ConstructablePolymorphically is a base for all objects which can be constructed using a std::shared_ptr to a base or a std::shared_ptr to ConstructablePolymorphically |
| CContractable | Use this as a base to add to Derived a "contracted()" attribute |
| CCppCodeContext | CppCodeContext is an implementation of CodeContext for C++ |
| CCR_11_DivG12prime_xTx_11 | Compute relation for 2-e integrals of the DivG12prime_xTx operators |
| CCR_11_G12TiG12_11 | Compute relation for 2-e integrals of the G12_Ti_G12 operators |
| CCR_11_GTG_11_1d | Compute relation for 1-dimensional Gaussian-type geminal integrals |
| CCR_11_R12kR12lG12_11 | Compute relation for integrals of operator R12k_R12l_G12 |
| CCR_11_R1dotR1G12_11 | Compute relation for 2-e integrals of the r1.r1 x G12 operators |
| CCR_11_R1dotR2G12_11 | Compute relation for 2-e integrals of the r1.r2 x G12 operators |
| CCR_11_R2dotR2G12_11 | Compute relation for 2-e integrals of the r2.r2 x G12 operators |
| CCR_11_TiG12_11 | Compute relation for 2-e integrals of the Ti_G12 operators |
| CCR_1_σpVσp_1 | This computes integral of   |
| CCR_DerivGauss | Compute relation for (geometric) derivative Gaussian ints of generic type IntType |
| CCR_DerivGauss_GenericInstantiator | |
| CCR_XYZ_1_1 | This computes integral of Oper over CGShell/CGF as a product of 1-d integrals |
| CCTimeEntity | CTimeEntity is an Entity of type T that exists at compile-time of the generated code (hence has a value known at compile-time) |
| CDecontractedIntegralSet | Return true if V is a decontracted IntegralSet |
| CDefaultOnePBraket | This is the implementation of the Braket concept used by GenIntegralSet_1_1 |
| CDefaultPurgingPolicy | Determines whether an object should be purged from a stack |
| CDefaultQuantumNumbers | Default implementation of QuantumNumbers |
| CDefaultTwoPBraket | This is the implementation of the Braket concept used by GenIntegralSet_11_11 |
| CDerivMapGenerator | This class statically initializes all index permutation maps for each BraKet type which requires them in Engine |
| CDFBasisSetGenerator | This class produces density fitting basis sets for an atom from products of AO basis functions and eliminates linearly dependent functions via pivoted Cholesky decomposition see: J |
| CDGArc | Class DGArc describes arcs in a directed graph |
| CDGArcDirect | Class DGArcDirect describes arcs that does not correspond to any relationship |
| CDGArcRel | Class DGArcRel describes arcs in a directed graph which is represented by a relationship ArcRel |
| CDGArcRR | Class DGArcRR describes arcs correspond to recurrence relations |
| CDGVertex | This is a vertex of a Directed Graph (DG) |
| CDIIS | DIIS (`‘direct inversion of iterative subspace’') extrapolation |
| CDirectedGraph | DirectedGraph is an implementation of a directed graph composed of vertices represented by DGVertex objects |
| CDRTree | This is a directed rooted tree |
| CDummyRandomizePolicy | |
| CEntity | Entity is a base class for all objects that exist at compile or runtime of the generated code |
| CExpensiveNumbers | Holds tables of expensive quantities |
| CExtractExternSymbols | This class collects labels of all external non-compile-time constants |
| CExtractRR | This class collects all unique RRs. It uses RRStack to get their InstanceID |
| CFewestNewVerticesTactic | FewestNewVerticesTactic chooses RR which adds fewest new vertices to DirectedGraph dg |
| CFirstChoiceTactic | FirstChoiceTactic simply chooses the first RR |
| CFirstFitMemoryManager | FirstFitMemoryManager allocates memory by finding first suitable free block |
| CFixedOrderedIntegerPartitionIterator | Iterates over all partitions of a non-negative integer   |
| CFmEval_Chebyshev7 | Computes the Boys function, $ F_m (T) = \int_0^1 u^{2m} \exp(-T u^2) \, {\rm d}u $, using 7-th order Chebyshev interpolation |
| CFmEval_Reference | Computes the Boys function,  |
| CFmEval_Reference2 | Computes the Boys function, $ F_m (T) = \int_0^1 u^{2m} \exp(-T u^2) \, {\rm d}u $, using multi-algorithm approach (upward recursion for T>=117, and asymptotic summation for T<117) |
| CFmEval_Taylor | Computes the Boys function, $ F_m (T) = \int_0^1 u^{2m} \exp(-T u^2) \, {\rm d}u $, using Taylor interpolation of up to 8-th order |
| CFNVStringHash | FNVStringHash uses Fowler/Noll/Vo algorithm to hash a char string to a 64-bit integer |
| CForLoop | |
| CFourCenter_OS_Tactic | FourCenter_OS_Tactic decides graph build for (bra0 ket0| bra1 ket1) = <bra0 bra1|ket0 ket1> |
| CGaussianGmEval | |
| CGenericGaussDeriv | Builds ( ... d a / d r_dir ... ) src0 = ( ... a+1 ... ) src1 = ( ... a-1 ... ) |
| CGenericGmEval | |
| CGenericRecurrenceRelation | RRImpl must inherit GenericRecurrenceRelation<RRImpl> |
| CGenIntegralSet | GenIntegralSet is a set of integrals over functions derived from BFS |
| CGenIntegralSet_11_11 | Generic integral over a two-body operator with one bfs for each particle in bra and ket |
| CGenIntegralSet_1_1 | Generic integral over a one-body operator with one bfs for each particle in bra and ket |
| CGenMultSymmOper_Descr | GenMultSymmOper is a generic multiplicative symmetric N-body operator |
| CGenOper | GenOper is a single operator described by descriptor Descr |
| CGraphRegistry | Externally accessible registry of information about a graph |
| CGTG_1d_Descr | GTG_1d is the two-body 1-dimensional Gaussian geminal |
| CHashable | Objects of Hashable<T> class provide hashing function key() which computes keys of type KeyType |
| CHRR | A generic Horizontal Recurrence Relation: |
| CImplicitDimensions | ImplicitDimensions describes basis functions or other "degrees of freedom" not actively engaged in a recurrence relation |
| CIncableBFSet | Set of basis functions with incrementable/decrementable quantum numbers |
| CInputError | This exception used to indicate some error in the user-provided input |
| CIntegralInTargetIntegralSet | Return true if V is an Integral in an unrolled target IntegralSet |
| CIntegralSet | This is an abstract base for sets of all types of integrals |
| CIntegralSet_to_Integrals | IntegralSet_to_Integrals converts I, a set of integrals, to individual integrals |
| CIntegralSet_to_Integrals_base | IntegralSet_to_Integrals_base is dummy class used for dynamic casts only |
| CInternalGraphRegistry | Internal registry of information |
| CInvalidDecrement | |
| Cis_vector | |
| Cis_vector< simd::Vector< N, T > > | |
| Cis_vector< simd::VectorAVXDouble > | |
| Cis_vector< simd::VectorFP2Double > | |
| Cis_vector< simd::VectorQPXDouble > | |
| Cis_vector< simd::VectorSSEDouble > | |
| Cis_vector< simd::VectorSSEFloat > | |
| CITR_11_TwoPRep_11 | ITR (Interelectron Transfer Relation) for 2-e ERI |
| CITR_xs_xs | |
| CITR_xs_xs< 0, La, Lc, InBra, vectorize > | Builds (a 0|c0) from src0 = (a-1 0|c 0) src1 = (a-1 0|c+1 0) src2 = (a-2 0|c 0) src3 = (a-1 0|c-1 0) |
| CITR_xs_xs< 1, La, Lc, InBra, vectorize > | Builds (a 0|c0) from src0 = (a 0|c-1 0) src1 = (a+1 0|c-1 0) src2 = (a 0|c-2 0) src3 = (a-1 0|c-1 0) |
| CKeyStore | If OwnsKey is true then KeyStore<T> has the key of type T, otherwise it's empty |
| CKeyStore< T, false > | |
| CKeyStore< T, true > | |
| CKeyTraits | KeyTraits<T> describes following properties of type T: 1) how to return objects of type T |
| CKeyTraits< std::string > | Std::string should be returned by const reference |
| CKeyTraits< T[Size]> | Arrays should be returned by const reference also |
| CKeyTypes | Collection of types used for constructing keys in libint2 |
| CLastFitMemoryManager | LastFitMemoryManager allocates memory by finding last suitable free block |
| CLibint2Iface | Libint2Iface is used to generate Libint2 interfaces |
| CLibraryTask | A key idea introduced here is that of "task" |
| CLibraryTaskManager | Manages tasks. This is a Singleton |
| CLinearCombination | Linear combination of objects of type T with coefficients of type C |
| CMemoryBlock | MemoryBlock<Address,Size> describes a block of raw memory addressed via Address and size described by Size |
| CMemoryManager | Class MemoryManager handles allocation and deallocation of raw memory (stack) provided at runtime of the library |
| CMemoryManagerFactory | MemoryManagerFactory is a very dumb factory for MemoryManagers |
| CNotSet | This exception used to indicate that some property is not set |
| CNotUnrolledIntegralSet | Return false if V is an unrolled IntegralSet |
| CNullTactic | NullTactic always returns null RecurrenceRelation |
| COper | Oper is OperSet characterized by properties Props |
| COperatorProperties | OperatorProperties describes various properties of an operator or operator set |
| COperSet | OperSet is the base class for all (sets of) operators |
| COriginDerivative | Represents cartesian derivatives of atom-centered basis functions |
| COSAVRR_sx_sx | |
| COSAVRR_sx_sx< 0, Lb, Ld, vectorize > | Builds (0b|0d)^(m) src1 = (0b-1|0d)^(m+1) src4 = (0b-1|0d-1)^(m+1) |
| COSAVRR_sx_sx_deriv | Ahlrichs version |
| COSAVRR_sx_sx_deriv< 0, Lb, Ld, Da_x, Da_y, Da_z, Db_x, Db_y, Db_z, Dc_x, Dc_y, Dc_z, Dd_x, Dd_y, Dd_z, vectorize > | Builds (a 0|c0)^(m) src1 = (a-10|c0)^(m+1) src4 = (a-10|c-10)^(m+1) |
| COSAVRR_xs_xs | |
| COSAVRR_xs_xs< 0, La, Lc, vectorize > | Builds (a 0|c0)^(m) src1 = (a-10|c0)^(m+1) src4 = (a-10|c-10)^(m+1) |
| COSAVRR_xs_xs_deriv | |
| COSAVRR_xs_xs_deriv< 0, La, Lc, Da_x, Da_y, Da_z, Db_x, Db_y, Db_z, Dc_x, Dc_y, Dc_z, Dd_x, Dd_y, Dd_z, vectorize > | Builds (a 0|c0)^(m) src1 = (a-10|c0)^(m+1) src4 = (a-10|c-10)^(m+1) |
| COSVRR_sx_sx | |
| COSVRR_sx_sx< 0, Lb, Ld, unit_a, vectorize > | Builds (0b|0d)^(m) src0 = (0b-1|0d)^(m) // ignored if unit_a = true src1 = (0b-1|0d)^(m+1) src2 = (0b-2|0d)^(m) src3 = (0b-2|0d)^(m+1) src4 = (0b-1|0d-1)^(m+1) |
| COSVRR_sx_sx< 1, Lb, Ld, vectorize > | Builds (0b|0d)^(m) src0 = (0b|0d-1)^(m) src1 = (0b|0d-1)^(m+1) src2 = (0b|0d-2)^(m) src3 = (0b|0d-2)^(m+1) src4 = (0b-1|0d-1)^(m+1) |
| COSVRR_sx_sx_deriv | |
| COSVRR_sx_sx_deriv< 0, Lb, Ld, Da_x, Da_y, Da_z, Db_x, Db_y, Db_z, Dc_x, Dc_y, Dc_z, Dd_x, Dd_y, Dd_z, unit_a, vectorize > | Builds (a 0|c0)^(m) src0 = (a-10|c0)^(m) // ignored if unit_a is true src1 = (a-10|c0)^(m+1) src2 = (a-20|c0)^(m) src3 = (a-20|c0)^(m+1) src4 = (a-10|c-10)^(m+1) |
| COSVRR_xs_xs | |
| COSVRR_xs_xs< 0, La, Lc, unit_b, vectorize > | Builds (a 0|c0)^(m) src0 = (a-10|c0)^(m) // ignored if unit_b is true src1 = (a-10|c0)^(m+1) src2 = (a-20|c0)^(m) src3 = (a-20|c0)^(m+1) src4 = (a-10|c-10)^(m+1) |
| COSVRR_xs_xs_deriv | |
| COSVRR_xs_xs_deriv< 0, La, Lc, Da_x, Da_y, Da_z, Db_x, Db_y, Db_z, Dc_x, Dc_y, Dc_z, Dd_x, Dd_y, Dd_z, unit_b, vectorize > | Builds (a 0|c0)^(m) src0 = (a-10|c0)^(m) // not used if unit_b is true src1 = (a-10|c0)^(m+1) src2 = (a-20|c0)^(m) src3 = (a-20|c0)^(m+1) src4 = (a-10|c-10)^(m+1) |
| COwnKey | Use OwnKey to figure out whether the key should be stored in Hashable |
| COwnKey< CacheKey > | |
| CParser_prefixN | Parses the symbol if it is composed of a prefix followed by a number |
| CParticleDirectionTactic | ParticleDirectionTactic returns the first RR that transfers the quantum numbers between particles in the desired direction |
| CPermutationalSymmetry | Permutational symmetries: antisymmetric(anti), symmetric(symm), nonsymmetric (nonsymm), some more complicated symmetry (nonstd) |
| CPrefactors | Prefactors is a collection of common quantities which appear as prefactors in recurrence relations for Gaussian integrals |
| CPrerequisitesExtractor | |
| CProductType | Product of 2 types |
| CProductType< double, double > | |
| CProductType< double, EntityTypes::FP > | |
| CProductType< double, EntityTypes::Int > | |
| CProductType< double, int > | |
| CProductType< EntityTypes::FP, double > | |
| CProductType< EntityTypes::FP, EntityTypes::FP > | |
| CProductType< EntityTypes::FP, EntityTypes::Int > | |
| CProductType< EntityTypes::FP, int > | |
| CProductType< EntityTypes::Int, double > | |
| CProductType< EntityTypes::Int, EntityTypes::FP > | |
| CProductType< EntityTypes::Int, EntityTypes::Int > | |
| CProductType< EntityTypes::Int, int > | |
| CProductType< int, double > | |
| CProductType< int, EntityTypes::FP > | |
| CProductType< int, EntityTypes::Int > | |
| CProductType< int, int > | |
| CProgrammingError | This exception used to indicate some programming error |
| CPtrEquiv | PtrEquiv<T> provides a set of comparison functions named 'equiv' which take as arguments a mix of references, regular pointers, and smart pointers to T and it's various expected relatives |
| CPurgeableStack | PurgeableStack is an AbstractPurgeableStack that contains objects of type T |
| CPurgeableStacks | Collection of AbstractPurgeableStack objects |
| CQuantumNumbers | QuantumNumbers<T,N> is a set of N quantum numbers of type T implemented in terms of std::vector |
| CQuantumNumbersA | QuantumNumbersA<T,N> is a set of N quantum numbers of type T implemented in terms of a C-style array |
| CQuantumNumbersA< T, 0 > | Partial specialization of QuantumNumbersA for the case N=0 |
| CQuantumSet | QuantumSet is the base class for all (sets of) quantum numbers |
| CR12_k_G12_Descr | R12_k_G12 is a two-body operator of form r_{12}^k * exp(-\gamma * r_{12}), where k is an integer and \gamma is a positive real number |
| CR12k_R12l_G12_Descr | R12k_R12l_G12 is a two-body operator of form ( r_{12x}^kx * r_{12y}^ky * r_{12z}^kz ) * (r_{12x}^lx * r_{12y}^ly * r_{12z}^lz ) * G12 The following restrictions are imposed: 0 <= kx+ky+kz <= 4, 0 <= lx+ly+lz <= 4 |
| CR12kG12_11_11 | |
| CR1dotR1G12_11_11 | R1dotR1G12_11_11 – integral over R1dotR1_G12 operator with one bfs for each particle in bra and ket |
| CR1dotR2G12_11_11 | |
| CR2dotR2G12_11_11 | R2dotR2G12_11_11 – integral over R2dotR2_G12 operator with one bfs for each particle in bra and ket |
| CRandomChoiceTactic | RandomChoiceTactic chooses randomly among the applicable RRs |
| CRecurrenceRelation | RecurrenceRelation describes all recurrence relations |
| CReturnTypeAnalog | Converts Base to a type of the same signature as Ref |
| CReturnTypeAnalog< std::shared_ptr< Ref >, Base > | |
| CRRStackBase | RRStack implements a stack of RecurrenceRelation's which can only hold one instance of a given RR |
| CRTimeEntity | RTimeEntity is an Entity of type T that exists at runtime of the generated code (hence has no value known at compile-time) |
| ►CShell | Generally-contracted Solid-Harmonic/Cartesion Gaussian Shell |
| CContraction | Contracted Gaussian = angular momentum + sph/cart flag + contraction coefficients |
| Cdefaultable_boolean | |
| ►CShellPair | ShellPair contains pre-computed shell-pair data, primitive pairs are screened to finite precision |
| CPrimPairData | PrimPairData contains pre-computed primitive pair data |
| CSHGF | Solid-Harmonic Gaussian Function |
| CSHGShell | Solid-Harmonic Gaussian Shell |
| CSingletonStack | SingletonStack<T,KeyType> helps to implement Singleton-like objects of type T |
| CSphericalMultipole_Descr | Represents quantum numbers of real spherical multipole operator defined in Eqs |
| CSphericalMultipoleQuanta | Represents quantum numbers of real spherical multipole operator defined in Eqs |
| CStdLibintTDPolicy< CGShell1d< Axis > > | StdLibintTDPolicy<CGShell1d>::init_subobj initializes CGF1d's in canonical order |
| CStdLibintTDPolicy< GenIntegralSet< Oper, BFS, BraSetType, KetSetType, AuxQuanta > > | StdLibintTDPolicy<GenIntegralSet> describes how integral sets are composed of integrals in canonical order |
| CStdLibintTDPolicy< GenIntegralSet_11_11< BFS, Oper, AuxQuanta > > | |
| CStdLibintTDPolicy< GenIntegralSet_1_1< BFS, Oper, AuxQuanta > > | |
| CStdLibintTDPolicy< R12kG12_11_11< BFS, K > > | StdLibintTDPolicy<R12kG12_11_11> should go away soon |
| CStdLibintTDPolicy< R1dotR1G12_11_11< BFS > > | StdLibintTDPolicy<R1dotR1G12_11_11> should go away soon |
| CStdLibintTDPolicy< R1dotR2G12_11_11< BFS > > | StdLibintTDPolicy<R1dotR2G12_11_11> should go away soon |
| CStdLibintTDPolicy< R2dotR2G12_11_11< BFS > > | StdLibintTDPolicy<R2dotR2G12_11_11> should go away soon |
| CStdLibintTDPolicy< TiG12_11_11< BFS, K > > | StdLibintTDPolicy<TiG12_11_11> should go away soon |
| CStdLibintTDPolicy< TwoPRep_11_11< BFS > > | StdLibintTDPolicy<TwoPRep_11_11> should go away soon |
| CStdRandomizePolicy | The shift parameter is computed as follows: delta = floor(nrrs*scale*random()/RAND_MAX) where nrrs is the number of possibilities, scale is the user-specified parameter |
| CStorageTraits | |
| CStorageTraits< CGF > | |
| CStorageTraits< CGF1d< Axis > > | |
| CStorageTraits< CGShell > | |
| CStorageTraits< CGShell1d< Axis > > | |
| CStrategy | Strategy specifies how to apply recurrence relations |
| CSubIterator | Iterator provides a base class for all object iterator classes |
| CSubIteratorBase | SubIteratorBase<T> provides a base class for a sub-iterator class for T |
| CTactic | Tactic is used to choose the optimal (in some sense) recurrence relation to reduce a vertex |
| CTaskExternSymbols | This class maintains code symbols provided by the user, e.g |
| CTaskParameters | This class maintains various parameters for each task type which can only be determined during the source generation (max stack size, etc.) |
| CTennoGmEval | Core integral for Yukawa and exponential interactions |
| CTensor | |
| CTesterCmdLine | Command-line parser for the standard build tester – N is the number of centers, i.e |
| CTi_G12_Descr | Ti_G12 is a two-body operator of form [T_i, G12], where i is particle index (0 or 1) and G12 is a Gaussian Geminal |
| CTiG12_11_11 | |
| CTimers | Timers aggregates N C++11 "timers"; used to high-resolution profile stages of integral computation |
| CTrivialBFSet | TrivialBFSet<T> defines static member result, which is true if T is a basis function set consisting of 1 function |
| CTrivialBFSet< CGF > | |
| CTrivialBFSet< CGF1d< Axis > > | |
| CTrivialBFSet< CGShell > | |
| CTrivialBFSet< CGShell1d< Axis > > | |
| CTrivialBFSet< SHGF > | |
| CTrivialBFSet< SHGShell > | |
| CTwoCenter_OS_Tactic | TwoCenter_OS_Tactic decides graph build for <bra0|ket0> |
| CTwoPRep_11_11 | |
| CTwoPRep_Descr | TwoPRep is the two-body repulsion operator |
| CTypeAndInstance | Type/Instance combination serves as a key to quickly compare 2 polymorphic Singletons |
| CTypeTraits | |
| CUncontract_Integral | Uncontract_Integral converts (a set of) contracted integral(s) to its uncontracted counterpart |
| CUncontract_Integral_base | Uncontract_Integral_base is dummy class used for dynamic casts only |
| CUnrolledIntegralSet | Return true if V is an unrolled IntegralSet |
| Cvector_traits | |
| Cvector_traits< simd::Vector< N, T > > | |
| Cvector_traits< simd::VectorAVXDouble > | |
| Cvector_traits< simd::VectorFP2Double > | |
| Cvector_traits< simd::VectorQPXDouble > | |
| Cvector_traits< simd::VectorSSEDouble > | |
| Cvector_traits< simd::VectorSSEFloat > | |
| CVectorN | Vector of N elements of type T |
| CVertexAlreadyOnStack | This exception class is used to pass the pointer to the vertex on the graph |
| CVertexPrinter | |
| CVRR_11_R12kG12_11 | VRR Recurrence Relation for 2-e integrals of the R12_k_G12 operators |
| CVRR_11_TwoPRep_11 | VRR Recurrence Relation for 2-e ERI |
| CVRR_1_ElecPot_1 | VRR Recurrence Relation for 1-e electrostatic potential integrals |
| CVRR_1_Kinetic_1 | VRR Recurrence Relation for 1-e kinetic energy integrals |
| CVRR_1_Overlap_1 | VRR Recurrence Relation for 1-e overlap integrals |
| CVRR_1_Overlap_1_1d | VRR Recurrence Relation for 1-d overlap integrals |
| CVRR_1_SMultipole_1 | VRR Recurrence Relation for 1-e spherical multipole moment aka regular solid harmonics integrals |
| CVRR_GTG_1d_xx_xx | Builds (ab| GTG_1d |cd), the shell set of 2-dimensional integrals needed for Rys quadrature evaluation of 2-body ints |
| CVRR_r12kg12_xs_xs | |
| CVRR_r12kg12_xs_xs< 0, La, Lc, K, vectorize > | Builds (a0| G_K |c0), where G_K = r12^K * G12, for K >= 0 |
| CWorstFitMemoryManager | WorstFitMemoryManager allocates memory by trying to find the largest-possible free block |
| CZeroNewVerticesTactic | ZeroNewVerticesTactic chooses first RR which adds no new vertices on DirectedGraph dg |
