► N libint2 Defaults definitions for various parameters assumed by Libint
► N algebra
C CTimeEntity
C OperatorTypes
C RTimeEntity
C Wedge Wedge is a typeholder for the result of a wedge product
► N chemistry
C element
► N constants
C codata_2010 2010 CODATA reference set, available at DOI 10.1103/RevModPhys.84.1527
C codata_2014 2014 CODATA reference set, available at DOI 10.1103/RevModPhys.88.035009
C codata_2018 2018 CODATA reference set, available at https://physics.nist.gov/cuu/pdf/wall_2018.pdf
► N detail Most basic type – TwoPRep_11_11 – has one bfs for each particle in bra and ket
C __initializer
C compressed_pair
C CoreEvalScratch Some evaluators need thread-local scratch, but most don't
C CoreEvalScratch< GaussianGmEval< Real, -1 > > GaussianGmEval <Real,-1> needs extra scratch data
► C ext_stack_allocator Allocator that uses an externally-managed stack-allocated array for allocations up to max_size, for larger allocations uses heap
C rebind
C has_static_size
C has_static_size< std::array< T, N > >
C has_static_size< T[N]>
C IsSharedPtr
C IsSharedPtrHelper Can be used to determine whether a type is a std::shared_ptr
C IsSharedPtrHelper< std::shared_ptr< T > >
C managed_singleton
C scale
C scale< Real, 2 >
C scale< Real, 4 >
► N diis
C traits
C traits< Eigen::Matrix< _Scalar, _Rows, _Cols, _Options, _MaxRows, _MaxCols > >
► N EntityTypes EntityTypes enumerates the types of objects Entity can represent
C EntityType
► N molden
C Export Exports LCAO coefficients in Molden format
C PBCExport Extension of the Molden exporter to support JMOL extensions for crystal orbitals (see https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol/src/org/jmol/adapter/readers/quantum/MoldenReader.java#l25 )
► N os_core_ints Obara-Saika core ints code
C delta_gm_eval
C erf_coulomb_gm_eval
C erfc_coulomb_gm_eval
C r12_xx_K_gm_eval
► N prefactor
C CTimeSingletons
C CTimeVector3 Auxiliary class that write expressions with compile-time cartesian vectors
C RTimeSingletons
C RTimeVector3 Auxiliary class that write expressions with runtime cartesian vectors
► N simd Contains data types that support SIMD-style computation on vectors of numbers
C Vector 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
C VectorAVXDouble 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)
C VectorAVXFloat 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)
C VectorFP2Double 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
C VectorQPXDouble SIMD vector of 4 double-precision floating-point real numbers, operations on which use QPX instructions available on some recent PowerPC hardware, e.g
C VectorSSEDouble SIMD vector of 2 double-precision floating-point real numbers, operations on which use SSE2 instructions available on all recent x86 hardware
C VectorSSEFloat SIMD vector of 4 single-precision floating-point real numbers, operations on which use SSE instructions available on all recent x86 hardware
► N solidharmonics
C SolidHarmonicsCoefficients Transformation coefficients from unnormalized Cartesian Gaussians (rows) to unit-normalized real Solid Harmonics Gaussians
C AbstractPurgeableStack PurgeableStack is a container that can be purged by calling purge() method
C AlgebraicOperator AlgebraicOperator is an algebraic operator that acts on objects of type T
C any Partial C++17 std::any implementation (and less efficient than can be)
► C ArrayBraket ArrayBraket is a lightweight implementation of Braket concept
C parent_type There's no parent
C Atom
C bad_any_cast
C BestFitMemoryManager BestFitMemoryManager allocates memory by trying to find a suitable free block, which is is larger than the requested amount by at least tight_fit
C BFSet Set of basis functions
C BraketPair BraketPair is a trimmed down version of ArrayBraket specialized for same-particle or different-particle pairs of functions
C CannotAddArc
C CannotPerformOperation This exception class is used to notify that a graph operation cannot be performed
C CartesianMultipole_Descr Cartesian multipole operator in NDIM dimensions
C CartesianMultipoleQuanta Represents quantum numbers of cartesian multipole operator
C CGF 3D Cartesian Gaussian Function
C CGF1d Cartesian components of 3D CGF = 1D CGF
C CGShell 3D Cartesian Gaussian Shell
C CGShell1d "shell" of 1D CGFs with quantum number L is a set of 1D CGFs with quantum numbers 0
C CGShellInfo Ordering maps for up to angular momentum lmax and ordering specified by CGShellOrderingSpec
► C CGShellOrderingData
C Triple
C CGShellOrderingGenerator
C CGShellOrderingGenerator< CGShellOrdering_GAMESS, lmax >
C CGShellOrderingGenerator< CGShellOrdering_MOLDEN, lmax >
C CGShellOrderingGenerator< CGShellOrdering_ORCA, lmax >
C CGShellOrderingGenerator< CGShellOrdering_Standard, lmax >
C ChildFactory Helps GenericRecurrenceRelation to work around the compiler problem with make_child
C ClassInfo Objects of this type provide limited information about the class at runtime
C ClassRegistry This is a unique registry of classes
C CodeBlock
C CodeContext CodeContext provides context for generating code
C CodeDoesNotExist This exception used to indicate that some code hasn't been developed or generalized yet
C CodeSymbols Class CodeSymbols specifies a set of symbols used in a code
C CompilationParameters These are the parameters received by the compiler
C ConstructablePolymorphically 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
C Contractable Use this as a base to add to Derived a "contracted()" attribute
C CppCodeContext CppCodeContext is an implementation of CodeContext for C++
C CR_11_DivG12prime_xTx_11 Compute relation for 2-e integrals of the DivG12prime_xTx operators
C CR_11_G12TiG12_11 Compute relation for 2-e integrals of the G12_Ti_G12 operators
C CR_11_GTG_11_1d Compute relation for 1-dimensional Gaussian-type geminal integrals
C CR_11_R12kR12lG12_11 Compute relation for integrals of operator R12k_R12l_G12
C CR_11_R1dotR1G12_11 Compute relation for 2-e integrals of the r1.r1 x G12 operators
C CR_11_R1dotR2G12_11 Compute relation for 2-e integrals of the r1.r2 x G12 operators
C CR_11_R2dotR2G12_11 Compute relation for 2-e integrals of the r2.r2 x G12 operators
C CR_11_TiG12_11 Compute relation for 2-e integrals of the Ti_G12 operators
C CR_1_σpVσp_1 This computes integral of over CGShell/CGF by rewriting it as a linear combination of integrals over electrostatic potential
C CR_DerivGauss Compute relation for (geometric) derivative Gaussian ints of generic type IntType
C CR_DerivGauss_GenericInstantiator
C CR_XYZ_1_1 This computes integral of Oper over CGShell/CGF as a product of 1-d integrals
C CTimeEntity CTimeEntity is an Entity of type T that exists at compile-time of the generated code (hence has a value known at compile-time)
C DecontractedIntegralSet Return true if V is a decontracted IntegralSet
C DefaultOnePBraket This is the implementation of the Braket concept used by GenIntegralSet_1_1
C DefaultPurgingPolicy Determines whether an object should be purged from a stack
C DefaultQuantumNumbers Default implementation of QuantumNumbers
C DefaultTwoPBraket This is the implementation of the Braket concept used by GenIntegralSet_11_11
C DerivMapGenerator This class statically initializes all index permutation maps for each BraKet type which requires them in Engine
C DFBasisSetGenerator 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
C DGArc Class DGArc describes arcs in a directed graph
C DGArcDirect Class DGArcDirect describes arcs that does not correspond to any relationship
C DGArcRel Class DGArcRel describes arcs in a directed graph which is represented by a relationship ArcRel
C DGArcRR Class DGArcRR describes arcs correspond to recurrence relations
C DGVertex This is a vertex of a Directed Graph (DG)
C DIIS DIIS (`‘direct inversion of iterative subspace’') extrapolation
C DirectedGraph DirectedGraph is an implementation of a directed graph composed of vertices represented by DGVertex objects
C DRTree This is a directed rooted tree
C DummyRandomizePolicy
C Entity Entity is a base class for all objects that exist at compile or runtime of the generated code
C ExpensiveNumbers Holds tables of expensive quantities
C ExtractExternSymbols This class collects labels of all external non-compile-time constants
C ExtractRR This class collects all unique RRs. It uses RRStack to get their InstanceID
C FewestNewVerticesTactic FewestNewVerticesTactic chooses RR which adds fewest new vertices to DirectedGraph dg
C FirstChoiceTactic FirstChoiceTactic simply chooses the first RR
C FirstFitMemoryManager FirstFitMemoryManager allocates memory by finding first suitable free block
C FixedOrderedIntegerPartitionIterator Iterates over all partitions of a non-negative integer into nonnegative integers in reverse lexicographical order
C FmEval_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
C FmEval_Reference Computes the Boys function, , using single algorithm (asymptotic expansion)
C FmEval_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)
C FmEval_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
C FNVStringHash FNVStringHash uses Fowler/Noll/Vo algorithm to hash a char string to a 64-bit integer
C ForLoop
C FourCenter_OS_Tactic FourCenter_OS_Tactic decides graph build for (bra0 ket0| bra1 ket1) = <bra0 bra1|ket0 ket1>
C GaussianGmEval
C GenericGaussDeriv Builds ( ... d a / d r_dir ... ) src0 = ( ... a+1 ... ) src1 = ( ... a-1 ... )
C GenericGmEval
C GenericRecurrenceRelation RRImpl must inherit GenericRecurrenceRelation<RRImpl>
C GenIntegralSet GenIntegralSet is a set of integrals over functions derived from BFS
C GenIntegralSet_11_11 Generic integral over a two-body operator with one bfs for each particle in bra and ket
C GenIntegralSet_1_1 Generic integral over a one-body operator with one bfs for each particle in bra and ket
C GenMultSymmOper_Descr GenMultSymmOper is a generic multiplicative symmetric N-body operator
C GenOper GenOper is a single operator described by descriptor Descr
C GraphRegistry Externally accessible registry of information about a graph
C GTG_1d_Descr GTG_1d is the two-body 1-dimensional Gaussian geminal
C Hashable Objects of Hashable<T> class provide hashing function key() which computes keys of type KeyType
C HRR A generic Horizontal Recurrence Relation:
C ImplicitDimensions ImplicitDimensions describes basis functions or other "degrees of freedom" not actively engaged in a recurrence relation
C IncableBFSet Set of basis functions with incrementable/decrementable quantum numbers
C InputError This exception used to indicate some error in the user-provided input
C IntegralInTargetIntegralSet Return true if V is an Integral in an unrolled target IntegralSet
C IntegralSet This is an abstract base for sets of all types of integrals
C IntegralSet_to_Integrals IntegralSet_to_Integrals converts I, a set of integrals, to individual integrals
C IntegralSet_to_Integrals_base IntegralSet_to_Integrals_base is dummy class used for dynamic casts only
C InternalGraphRegistry Internal registry of information
C InvalidDecrement
C is_vector
C is_vector< simd::Vector< N, T > >
C is_vector< simd::VectorAVXDouble >
C is_vector< simd::VectorFP2Double >
C is_vector< simd::VectorQPXDouble >
C is_vector< simd::VectorSSEDouble >
C is_vector< simd::VectorSSEFloat >
C ITR_11_TwoPRep_11 ITR (Interelectron Transfer Relation) for 2-e ERI
C ITR_xs_xs
C ITR_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)
C ITR_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)
C KeyStore If OwnsKey is true then KeyStore<T> has the key of type T, otherwise it's empty
C KeyStore< T, false >
C KeyStore< T, true >
C KeyTraits KeyTraits<T> describes following properties of type T: 1) how to return objects of type T
C KeyTraits< std::string > Std::string should be returned by const reference
C KeyTraits< T[Size]> Arrays should be returned by const reference also
C KeyTypes Collection of types used for constructing keys in libint2
C LastFitMemoryManager LastFitMemoryManager allocates memory by finding last suitable free block
C Libint2Iface Libint2Iface is used to generate Libint2 interfaces
C LibraryTask A key idea introduced here is that of "task"
C LibraryTaskManager Manages tasks. This is a Singleton
C LinearCombination Linear combination of objects of type T with coefficients of type C
C MemoryBlock MemoryBlock<Address,Size> describes a block of raw memory addressed via Address and size described by Size
C MemoryManager Class MemoryManager handles allocation and deallocation of raw memory (stack) provided at runtime of the library
C MemoryManagerFactory MemoryManagerFactory is a very dumb factory for MemoryManagers
C NotSet This exception used to indicate that some property is not set
C NotUnrolledIntegralSet Return false if V is an unrolled IntegralSet
C NullTactic NullTactic always returns null RecurrenceRelation
C Oper Oper is OperSet characterized by properties Props
C OperatorProperties OperatorProperties describes various properties of an operator or operator set
C OperSet OperSet is the base class for all (sets of) operators
C OriginDerivative Represents cartesian derivatives of atom-centered basis functions
C OSAVRR_sx_sx
C OSAVRR_sx_sx< 0, Lb, Ld, vectorize > Builds (0b|0d)^(m) src1 = (0b-1|0d)^(m+1) src4 = (0b-1|0d-1)^(m+1)
C OSAVRR_sx_sx_deriv Ahlrichs version
C OSAVRR_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)
C OSAVRR_xs_xs
C OSAVRR_xs_xs< 0, La, Lc, vectorize > Builds (a 0|c0)^(m) src1 = (a-10|c0)^(m+1) src4 = (a-10|c-10)^(m+1)
C OSAVRR_xs_xs_deriv
C OSAVRR_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)
C OSVRR_sx_sx
C OSVRR_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)
C OSVRR_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)
C OSVRR_sx_sx_deriv
C OSVRR_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)
C OSVRR_xs_xs
C OSVRR_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)
C OSVRR_xs_xs_deriv
C OSVRR_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)
C OwnKey Use OwnKey to figure out whether the key should be stored in Hashable
C OwnKey< CacheKey >
C Parser_prefixN Parses the symbol if it is composed of a prefix followed by a number
C ParticleDirectionTactic ParticleDirectionTactic returns the first RR that transfers the quantum numbers between particles in the desired direction
C PermutationalSymmetry Permutational symmetries: antisymmetric(anti), symmetric(symm), nonsymmetric (nonsymm), some more complicated symmetry (nonstd)
C Prefactors Prefactors is a collection of common quantities which appear as prefactors in recurrence relations for Gaussian integrals
C PrerequisitesExtractor
C ProductType Product of 2 types
C ProductType< double, double >
C ProductType< double, EntityTypes::FP >
C ProductType< double, EntityTypes::Int >
C ProductType< double, int >
C ProductType< EntityTypes::FP, double >
C ProductType< EntityTypes::FP, EntityTypes::FP >
C ProductType< EntityTypes::FP, EntityTypes::Int >
C ProductType< EntityTypes::FP, int >
C ProductType< EntityTypes::Int, double >
C ProductType< EntityTypes::Int, EntityTypes::FP >
C ProductType< EntityTypes::Int, EntityTypes::Int >
C ProductType< EntityTypes::Int, int >
C ProductType< int, double >
C ProductType< int, EntityTypes::FP >
C ProductType< int, EntityTypes::Int >
C ProductType< int, int >
C ProgrammingError This exception used to indicate some programming error
C PtrEquiv 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
C PurgeableStack PurgeableStack is an AbstractPurgeableStack that contains objects of type T
C PurgeableStacks Collection of AbstractPurgeableStack objects
C QuantumNumbers QuantumNumbers<T,N> is a set of N quantum numbers of type T implemented in terms of std::vector
C QuantumNumbersA QuantumNumbersA<T,N> is a set of N quantum numbers of type T implemented in terms of a C-style array
C QuantumNumbersA< T, 0 > Partial specialization of QuantumNumbersA for the case N=0
C QuantumSet QuantumSet is the base class for all (sets of) quantum numbers
C R12_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
C R12k_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
C R12kG12_11_11
C R1dotR1G12_11_11 R1dotR1G12_11_11 – integral over R1dotR1_G12 operator with one bfs for each particle in bra and ket
C R1dotR2G12_11_11
C R2dotR2G12_11_11 R2dotR2G12_11_11 – integral over R2dotR2_G12 operator with one bfs for each particle in bra and ket
C RandomChoiceTactic RandomChoiceTactic chooses randomly among the applicable RRs
C RecurrenceRelation RecurrenceRelation describes all recurrence relations
C ReturnTypeAnalog Converts Base to a type of the same signature as Ref
C ReturnTypeAnalog< std::shared_ptr< Ref >, Base >
C RRStackBase RRStack implements a stack of RecurrenceRelation 's which can only hold one instance of a given RR
C RTimeEntity RTimeEntity is an Entity of type T that exists at runtime of the generated code (hence has no value known at compile-time)
► C Shell Generally-contracted Solid-Harmonic/Cartesion Gaussian Shell
C Contraction Contracted Gaussian = angular momentum + sph/cart flag + contraction coefficients
C defaultable_boolean
► C ShellPair ShellPair contains pre-computed shell-pair data, primitive pairs are screened to finite precision
C PrimPairData PrimPairData contains pre-computed primitive pair data
C SHGF Solid-Harmonic Gaussian Function
C SHGShell Solid-Harmonic Gaussian Shell
C SingletonStack SingletonStack<T,KeyType> helps to implement Singleton-like objects of type T
C SphericalMultipole_Descr Represents quantum numbers of real spherical multipole operator defined in Eqs
C SphericalMultipoleQuanta Represents quantum numbers of real spherical multipole operator defined in Eqs
C StdLibintTDPolicy< CGShell1d< Axis > > StdLibintTDPolicy<CGShell1d>::init_subobj initializes CGF1d 's in canonical order
C StdLibintTDPolicy< GenIntegralSet< Oper, BFS, BraSetType, KetSetType, AuxQuanta > > StdLibintTDPolicy<GenIntegralSet> describes how integral sets are composed of integrals in canonical order
C StdLibintTDPolicy< GenIntegralSet_11_11< BFS, Oper, AuxQuanta > >
C StdLibintTDPolicy< GenIntegralSet_1_1< BFS, Oper, AuxQuanta > >
C StdLibintTDPolicy< R12kG12_11_11< BFS, K > > StdLibintTDPolicy<R12kG12_11_11> should go away soon
C StdLibintTDPolicy< R1dotR1G12_11_11< BFS > > StdLibintTDPolicy<R1dotR1G12_11_11> should go away soon
C StdLibintTDPolicy< R1dotR2G12_11_11< BFS > > StdLibintTDPolicy<R1dotR2G12_11_11> should go away soon
C StdLibintTDPolicy< R2dotR2G12_11_11< BFS > > StdLibintTDPolicy<R2dotR2G12_11_11> should go away soon
C StdLibintTDPolicy< TiG12_11_11< BFS, K > > StdLibintTDPolicy<TiG12_11_11> should go away soon
C StdLibintTDPolicy< TwoPRep_11_11< BFS > > StdLibintTDPolicy<TwoPRep_11_11> should go away soon
C StdRandomizePolicy 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
C StorageTraits
C StorageTraits< CGF >
C StorageTraits< CGF1d< Axis > >
C StorageTraits< CGShell >
C StorageTraits< CGShell1d< Axis > >
C Strategy Strategy specifies how to apply recurrence relations
C SubIterator Iterator provides a base class for all object iterator classes
C SubIteratorBase SubIteratorBase<T> provides a base class for a sub-iterator class for T
C Tactic Tactic is used to choose the optimal (in some sense) recurrence relation to reduce a vertex
C TaskExternSymbols This class maintains code symbols provided by the user, e.g
C TaskParameters This class maintains various parameters for each task type which can only be determined during the source generation (max stack size, etc.)
C TennoGmEval Core integral for Yukawa and exponential interactions
C Tensor
C TesterCmdLine Command-line parser for the standard build tester – N is the number of centers, i.e
C Ti_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
C TiG12_11_11
C Timers Timers aggregates N C++11 "timers"; used to high-resolution profile stages of integral computation
C TrivialBFSet TrivialBFSet<T> defines static member result, which is true if T is a basis function set consisting of 1 function
C TrivialBFSet< CGF >
C TrivialBFSet< CGF1d< Axis > >
C TrivialBFSet< CGShell >
C TrivialBFSet< CGShell1d< Axis > >
C TrivialBFSet< SHGF >
C TrivialBFSet< SHGShell >
C TwoCenter_OS_Tactic TwoCenter_OS_Tactic decides graph build for <bra0|ket0>
C TwoPRep_11_11
C TwoPRep_Descr TwoPRep is the two-body repulsion operator
C TypeAndInstance Type/Instance combination serves as a key to quickly compare 2 polymorphic Singletons
C TypeTraits
C Uncontract_Integral Uncontract_Integral converts (a set of) contracted integral(s) to its uncontracted counterpart
C Uncontract_Integral_base Uncontract_Integral_base is dummy class used for dynamic casts only
C UnrolledIntegralSet Return true if V is an unrolled IntegralSet
C vector_traits
C vector_traits< simd::Vector< N, T > >
C vector_traits< simd::VectorAVXDouble >
C vector_traits< simd::VectorFP2Double >
C vector_traits< simd::VectorQPXDouble >
C vector_traits< simd::VectorSSEDouble >
C vector_traits< simd::VectorSSEFloat >
C VectorN Vector of N elements of type T
C VertexAlreadyOnStack This exception class is used to pass the pointer to the vertex on the graph
C VertexPrinter
C VRR_11_R12kG12_11 VRR Recurrence Relation for 2-e integrals of the R12_k_G12 operators
C VRR_11_TwoPRep_11 VRR Recurrence Relation for 2-e ERI
C VRR_1_ElecPot_1 VRR Recurrence Relation for 1-e electrostatic potential integrals
C VRR_1_Kinetic_1 VRR Recurrence Relation for 1-e kinetic energy integrals
C VRR_1_Overlap_1 VRR Recurrence Relation for 1-e overlap integrals
C VRR_1_Overlap_1_1d VRR Recurrence Relation for 1-d overlap integrals
C VRR_1_SMultipole_1 VRR Recurrence Relation for 1-e spherical multipole moment aka regular solid harmonics integrals
C VRR_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
C VRR_r12kg12_xs_xs
C VRR_r12kg12_xs_xs< 0, La, Lc, K, vectorize > Builds (a0| G_K |c0), where G_K = r12^K * G12, for K >= 0
C WorstFitMemoryManager WorstFitMemoryManager allocates memory by trying to find the largest-possible free block
C ZeroNewVerticesTactic ZeroNewVerticesTactic chooses first RR which adds no new vertices on DirectedGraph dg
C DFFockEngine