Here is a list of all functions with links to the classes they belong to:

- s -

• S() : madness::AdhocNuclearCorrelationFactor, madness::GaussSlater, madness::GradientalGaussSlater, madness::LinearSlater, madness::NuclearCorrelationFactor, madness::poly4erfc, madness::Polynomial< N >, madness::PseudoNuclearCorrelationFactor, madness::Slater
• s_orbital() : madness::Znemo::s_orbital
• sanity() : madness::CCConvolutionOperator< T, NDIM >, madness::Leaf_op< T, NDIM, opT, specialboxT >, madness::Leaf_op_other< T, NDIM >
• sanity_check() : madness::CCParameters, madness::DQueue< T >
• SAPFunctor() : madness::SAPFunctor
• sara() : TTT
• save() : madness::CalculationParameters, madness::ResponseParameters
• save_file() : madness::ResponseParameters
• save_function() : madness::MP2, madness::Nemo
• save_guess() : madness::Zcis
• save_iter_corrections() : madness::OEP_Parameters
• save_mos() : madness::MolecularOrbitals< T, NDIM >, madness::SCF
• save_orbitals() : madness::Solver< T, NDIM >, madness::Znemo
• save_pnos() : madness::PNO, madness::PNOParameters
• save_restartaodata() : madness::MolecularOrbitals< T, NDIM >
• save_restartdata() : madness::CC_vecfunction, madness::MolecularOrbitals< T, NDIM >, madness::OEP
• saveDF() : DF
• saving_amount() : madness::OEP_Parameters
• ScalarResult() : madness::ScalarResult< T >
• ScalarResultImpl() : madness::ScalarResultImpl< T >
• Scale() : CFFT
• scale() : Fcwf, madness::AbstractVectorSpace< T, real_type, scalar_type >, madness::CC_vecfunction, madness::Function< T, NDIM >, madness::FunctionNode< T, NDIM >, madness::FunctionSpace< T, NDIM >, madness::GenTensor< T >, madness::response_space, madness::SRConf< T >, madness::Tensor< T >, madness::TensorTrain< T >, madness::VectorOfFunctionsSpace< T, VDIM, FDIM >, madness::VectorSpace< T, NDIM >
• scale_inplace() : madness::FunctionImpl< T, NDIM >
• scale_oop() : madness::FunctionImpl< T, NDIM >
• scaleinplace() : madness::detail::scaleinplace< T, NDIM >
• ScalingFunctionFunctor() : madness::ScalingFunctionFunctor< 1 >, madness::ScalingFunctionFunctor< NDIM, std::enable_if_t< std::greater{}(NDIM, 1)> >
• scan() : madness::DQueue< T >, madness::ThreadPool
• SCF() : madness::SCF
• scf_data() : madness::scf_data
• SCFOperatorBase() : madness::SCFOperatorBase< T, NDIM >
• SCFProtocol() : madness::SCFProtocol
• ScopedMutex() : madness::ScopedMutex< mutexT >
• screen() : madness::FunctionImpl< T, NDIM >::multiply_op< LDIM >, madness::Tensor< T >
• screened() : madness::FunctionFunctorInterface< T, NDIM >, madness::ProjRLMFunctor
• sdf() : madness::SDFBox, madness::SDFCircle, madness::SDFCone, madness::SDFCylinder, madness::SDFEllipsoid, madness::SDFParaboloid, madness::SDFPlane, madness::SDFRectangle, madness::SDFSphere, madness::SignedDFInterface< NDIM >, MolecularMaskBase
• SDFBox() : madness::SDFBox
• SDFCircle() : madness::SDFCircle
• SDFCone() : madness::SDFCone
• SDFCube() : madness::SDFCube
• SDFCylinder() : madness::SDFCylinder
• SDFEllipsoid() : madness::SDFEllipsoid
• SDFParaboloid() : madness::SDFParaboloid
• SDFPlane() : madness::SDFPlane
• SDFRectangle() : madness::SDFRectangle
• SDFSphere() : madness::SDFSphere
• search_all_worlds() : madness::MemoryMeasurer
• search_world() : madness::MemoryMeasurer
• second_order() : madness::ResponseParameters
• section() : madness::CCMessenger
• self() : madness::CompositeFactory< T, NDIM, MDIM >, madness::FunctionFactory< T, NDIM >, madness::TwoElectronFactory< T, NDIM >
• selftest() : madness::CC2, madness::MolecularEnergy, madness::MP2, madness::Nemo, madness::OEP, madness::PNO, madness::QCPropertyInterface, madness::TDHF, madness::Zcis, madness::Znemo
• send() : madness::WorldAmInterface, madness::WorldContainer< keyT, valueT, hashfunT >, madness::WorldGopInterface
• Send() : madness::WorldMpiInterface
• send() : madness::WorldObject< Derived >
• Send() : SafeMPI::Intracomm
• send_am() : madness::WorldObject< Derived >
• send_internal() : madness::WorldGopInterface
• send_task() : madness::WorldObject< Derived >, madness::WorldTaskQueue
• SendReq() : madness::WorldAmInterface::SendReq
• separate_core_valence() : madness::Localizer
• SeparatedConvolution() : madness::SeparatedConvolution< Q, NDIM >
• SeparatedConvolutionData() : madness::SeparatedConvolutionData< Q, NDIM >
• serial_invoke() : madness::WorldGopInterface
• serialize() : A, Atom, AtomicBasis, AtomicBasisSet, B, CalculationParameters, ContractedGaussianShell, Double, function_real2complex_op< Q, NDIM >, G1, GygiPot::Pow< T, DIM >, GygiPot::Pow_beta_one< T, DIM >, GygiPot::Reciprocal< T, DIM >, InputParameters, Key, KPoint, LargeNode, madness::abs_op< Q, NDIM >, madness::abs_square_op< Q, NDIM >, madness::accumulate_op< T, NDIM >, madness::ACParameters< NDIM >, madness::archive::archive_ptr< T >, madness::archive::ArchiveSerializeImpl< Archive, T, Enabler >, madness::archive::ArchiveSerializeImpl< Archive, B >, madness::archive::ArchiveSerializeImpl< Archive, Key >, madness::archive::ArchiveSerializeImpl< Archive, resT(*)(paramT...), std::enable_if_t<!is_default_serializable_v< Archive, resT(*)(paramT...)> > >, madness::archive::ArchiveSerializeImpl< Archive, resT(objT::*)(paramT...) const, std::enable_if_t<!is_default_serializable_v< Archive, resT(objT::*)(paramT...) const > > >, madness::archive::ArchiveSerializeImpl< Archive, resT(objT::*)(paramT...), std::enable_if_t<!is_default_serializable_v< Archive, resT(objT::*)(paramT...)> > >, madness::archive::ArchiveSerializeImpl< Archive, std::optional< T >, std::enable_if_t< is_serializable_v< Archive, T > > >, madness::archive::ArchiveSerializeImpl< Archive, std::pair< T, Q >, std::enable_if_t< is_serializable_v< Archive, T > &&is_serializable_v< Archive, Q > > >, madness::archive::ArchiveSerializeImpl< Archive, std::tuple< Types... >, std::enable_if_t<(is_serializable_v< Archive, Types > &&...) > >, madness::Atom, madness::atom_information< NDIM >, madness::AtomCore, madness::AtomicBasis, madness::AtomicBasisSet, madness::BinaryOpStructure< NDIM >, madness::BoundaryConditions< NDIM >, madness::CC_vecfunction, madness::CCConvolutionOperator< T, NDIM >::Parameters, madness::CCFunction< T, NDIM >, madness::CCPair, madness::CoeffTracker< T, NDIM >, madness::conj_op< Q, NDIM >, madness::ContractedGaussianShell, madness::CoreOrbital, madness::CorePotential, madness::CorePotentialManager, madness::dens_inv, madness::DerivativeBase< T, NDIM >, madness::detail::absinplace< T, NDIM >, madness::detail::absop< NDIM >, madness::detail::abssqop< NDIM >, madness::detail::abssquareinplace< T, NDIM >, madness::detail::imagop< NDIM >, madness::detail::info< memfunT >, madness::detail::info_base< memfunT >, madness::detail::MemFuncWrapper< ptrT, memfnT, resT >, madness::detail::MemFuncWrapper< ptrT, memfnT, void >, madness::detail::noop< A, B >, madness::detail::realop< NDIM >, madness::detail::scaleinplace< T, NDIM >, madness::detail::squareinplace< T, NDIM >, madness::detail::TaskHandlerInfo< refT, functionT >, madness::DFParameters, madness::ElectronCuspyBox_op< T, NDIM >, madness::ElectronicStructureParams, madness::ElectronPair, madness::Function< T, NDIM >::autorefine_square_op, madness::Function< T, NDIM >::SimpleUnaryOpWrapper, madness::function_real2complex_op< Q, NDIM >, madness::FunctionImpl< T, NDIM >::add_op, madness::FunctionImpl< T, NDIM >::coeff_value_adaptor< Q, opT >, madness::FunctionImpl< T, NDIM >::do_accumulate_trees< Q, R >, madness::FunctionImpl< T, NDIM >::do_average, madness::FunctionImpl< T, NDIM >::do_change_tensor_type, madness::FunctionImpl< T, NDIM >::do_check_symmetry_local, madness::FunctionImpl< T, NDIM >::do_consolidate_buffer, madness::FunctionImpl< T, NDIM >::do_dot_local< R >, madness::FunctionImpl< T, NDIM >::do_err_box< opT >, madness::FunctionImpl< T, NDIM >::do_gaxpy_inplace< Q, R >, madness::FunctionImpl< T, NDIM >::do_inner_ext_local_ffi, madness::FunctionImpl< T, NDIM >::do_inner_local< R >, madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >, madness::FunctionImpl< T, NDIM >::do_keep_sum_coeffs, madness::FunctionImpl< T, NDIM >::do_map_and_mirror, madness::FunctionImpl< T, NDIM >::do_mapdim, madness::FunctionImpl< T, NDIM >::do_merge_trees< Q, R >, madness::FunctionImpl< T, NDIM >::do_mirror, madness::FunctionImpl< T, NDIM >::do_norm2sq_local, madness::FunctionImpl< T, NDIM >::do_op_args< OPDIM >, madness::FunctionImpl< T, NDIM >::do_reduce_rank, madness::FunctionImpl< T, NDIM >::do_standard, madness::FunctionImpl< T, NDIM >::do_truncate_NS_leafs, madness::FunctionImpl< T, NDIM >::do_unary_op_value_inplace< opT >, madness::FunctionImpl< T, NDIM >::hartree_op< LDIM, leaf_opT >, madness::FunctionImpl< T, NDIM >::multiply_op< LDIM >, madness::FunctionImpl< T, NDIM >::pointwise_multiplier< LDIM >, madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >, madness::FunctionImpl< T, NDIM >::recursive_apply_op2< opT >, madness::FunctionImpl< T, NDIM >::recursive_apply_op< opT, LDIM >, madness::FunctionImpl< T, NDIM >::remove_internal_coeffs, madness::FunctionImpl< T, NDIM >::remove_leaf_coeffs, madness::FunctionImpl< T, NDIM >::true_refine_test, madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >, madness::FunctionNode< T, NDIM >, madness::Group, madness::guessfactory::ExopUnaryOpStructure, madness::hartree_convolute_leaf_op< T, NDIM, LDIM, opT >, madness::hartree_leaf_op< T, NDIM >, madness::imag_op< Q, NDIM >, madness::insert_op< T, NDIM >, madness::KahanAccumulator< Complex, std::enable_if_t<!std::is_floating_point_v< Complex > > >, madness::KahanAccumulator< Real, std::enable_if_t< std::is_floating_point_v< Real > > >, madness::KeyChildIterator< NDIM >, madness::LBNodeDeux< NDIM >, madness::Leaf_op< T, NDIM, opT, specialboxT >, madness::Leaf_op_other< T, NDIM >, madness::MemoryMeasurer::MemInfo, madness::MemoryMeasurer::MemKey, madness::MolecularOrbitals< T, NDIM >, madness::Molecule, madness::munging_operator, madness::noop< T, NDIM >, madness::NuclearCuspyBox_op< T, NDIM >, madness::op_leaf_op< T, NDIM, opT >, madness::ProcessKey< Key, Tag >, madness::QCCalculationParametersBase, madness::QCParameter, madness::real_op< Q, NDIM >, madness::RemoteReference< T >, madness::ScalarResult< T >, madness::ScalarResultImpl< T >, madness::ShallowNode< T, NDIM >, madness::slater_kernel, madness::Slice, madness::Specialbox_op< T, NDIM >, madness::SRConf< T >, madness::TaggedKey< Key, Tag >, madness::TaskAttributes, madness::TensorArgs, madness::TensorTrain< T >, madness::true_op< NDIM >, madness::TwoBodyFunctionSeparatedComponent< T, NDIM >, madness::unaryexp< NDIM >, madness::UnaryOpStructure< NDIM >, madness::uniqueidT, madness::Vector< T, N >, madness::WorldContainer< keyT, valueT, hashfunT >, madness::WorldContainerIterator< internal_iteratorT >, madness::WorldProfileEntry, madness::XCOperator< T, NDIM >::expme, madness::XCOperator< T, NDIM >::logme, Mary, MolecularEntity, myunaryop< T, NDIM >, myunaryop_square< T, NDIM >, Node, Plotter, refop, SurfaceMoleculeInteraction::Bop, SurfaceMoleculeInteraction::Reciprocal< T, NDIM >, test_multiop< T, NDIM >, true_if_n_gt_op, true_op, unaryexp< T, NDIM >, unaryexp< double_complex, NDIM >, Uop
• serialize_internal() : madness::detail::TaskHandlerInfo< refT, functionT >
• set() : A, B, Fred, madness::CCFunction< T, NDIM >, madness::DistributedMatrix< T >, madness::Future< T >, madness::Future< void >, madness::FutureImpl< T >, madness::Hash_private::HashAccessor< hashT, lockmode >, madness::SimpleCache< Q, NDIM >, madness::WorldAmInterface::SendReq, Node, PNOTensors::Tensor_IJ_IK< T >, PNOTensors::Tensor_IJ_KJ< T >
• set_active() : madness::X_space
• set_algorithm() : madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >, madness::Exchange< T, NDIM >
• set_all() : madness::QCParameter
• set_all_coords() : madness::Molecule
• set_all_orbitals_occupied() : madness::MolecularOrbitals< T, NDIM >
• set_angular_order() : GridBuilder
• set_angular_points_from_order() : GridBuilder
• set_ansatz() : ExactSpinor
• set_aocc() : madness::AtomicBasis
• set_aoccpsp() : madness::AtomicBasis
• set_apply_randomize() : madness::FunctionDefaults< NDIM >
• set_assigned() : madness::FutureImpl< T >
• set_atom_charge() : madness::Molecule
• set_atom_coords() : madness::Molecule, MolecularEntity
• set_autorefine() : madness::Function< T, NDIM >, madness::FunctionDefaults< NDIM >, madness::FunctionImpl< T, NDIM >
• set_bc() : madness::FunctionDefaults< NDIM >
• set_ble1() : madness::Derivative< T, NDIM >, MyDerivativeOperator< T, NDIM >
• set_ble2() : madness::Derivative< T, NDIM >
• set_bocc() : madness::AtomicBasis
• set_boccpsp() : madness::AtomicBasis
• set_bra_and_ket() : madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >, madness::Exchange< T, NDIM >
• set_bspline1() : madness::Derivative< T, NDIM >, MyDerivativeOperator< T, NDIM >
• set_bspline2() : madness::Derivative< T, NDIM >
• set_bspline3() : madness::Derivative< T, NDIM >
• set_cache_value() : madness::detail::DistCache< keyT >
• set_cell() : madness::FunctionDefaults< NDIM >
• set_coeff() : madness::FunctionNode< T, NDIM >
• set_complete() : madness::MacroTaskBase, madness::MacroTaskQ
• set_complete_local() : madness::MacroTaskQ
• set_core_eprec() : madness::Molecule
• set_core_rcut() : madness::Molecule
• set_cout_to_logger() : madness::test_output
• set_cout_to_terminal() : madness::test_output
• set_ctype() : madness::CCPairBuilder
• set_cubic_cell() : madness::FunctionDefaults< NDIM >
• set_debug() : madness::Cloud, madness::FunctionDefaults< NDIM >, madness::MacroTask< taskT >, madness::RMI, madness::WorldGopInterface
• set_default_pmap() : madness::FunctionDefaults< NDIM >
• set_defaults() : madness::commandlineparser, madness::FunctionDefaults< NDIM >
• set_derived_value() : madness::QCCalculationParametersBase, madness::QCParameter
• set_derived_values() : madness::CalculationParameters, madness::CCParameters, madness::F12Parameters, madness::MolecularOptimizationParameters, madness::Molecule::GeometryParameters, madness::Nemo_complex_Parameters, madness::OEP_Parameters, madness::PNOParameters, madness::ResponseParameters, madness::TDHF::TDHFParameters
• set_dimension() : madness::MacroTaskPartitioner
• set_dims_and_size() : madness::BaseTensor
• set_dmat() : madness::AtomicBasis
• set_dmatpsp() : madness::AtomicBasis
• set_dnorm() : madness::FunctionNode< T, NDIM >
• set_do_bind() : madness::ThreadBinder
• set_dofence() : madness::archive::BaseParallelArchive< Archive >
• set_domain_periodicity() : madness::SeparatedConvolution< Q, NDIM >
• set_enforce_core_valence_separation() : madness::Localizer
• set_eprec() : madness::CorePotentialManager
• Set_error() : SafeMPI::Status
• set_event() : madness::PoolTaskInterface
• set_ex_singles() : madness::CCPairBuilder
• set_extra_truncation() : madness::XCOperator< T, NDIM >
• set_fence() : madness::Cloud
• set_forbid_fence() : madness::WorldGopInterface
• set_force_load_from_cache() : madness::Cloud
• set_func() : madness::AmArg
• set_functions() : madness::CC_vecfunction
• set_functor() : madness::Function< T, NDIM >, madness::FunctionImpl< T, NDIM >
• set_generator() : madness::TaskAttributes
• set_global_convenience_options() : madness::Molecule::GeometryParameters
• set_ground_state_calculation_data() : madness::ResponseParameters
• set_gs_singles() : madness::CCPairBuilder
• set_guess_info() : AtomicBasis, madness::AtomicBasis
• set_handler() : madness::FutureImpl< T >
• set_has_children() : madness::FunctionNode< T, NDIM >
• set_has_children_recursive() : madness::FunctionNode< T, NDIM >
• set_hessian() : madness::MolecularOptimizer, madness::QuasiNewton
• set_highpriority() : madness::TaskAttributes
• set_impl() : madness::Function< T, NDIM >, madness::ScalarResult< T >
• set_info() : madness::LocalPotentialOperator< T, NDIM >, madness::TaskInterface, madness::TwoElectronFactory< T, NDIM >
• set_initial_level() : madness::FunctionDefaults< NDIM >
• set_irrep() : madness::projector_irrep
• set_is_first() : madness::Derivative< T, NDIM >
• set_is_leaf() : madness::FunctionNode< T, NDIM >
• set_is_second() : madness::Derivative< T, NDIM >
• set_is_third() : madness::Derivative< T, NDIM >
• set_ispin() : madness::XCOperator< T, NDIM >
• set_k() : madness::FunctionDefaults< NDIM >
• set_keyval() : madness::commandlineparser
• set_keyval_keep_case() : madness::commandlineparser
• set_length_scale() : madness::FunctionDefaults< NDIM >, madness::FunctionFunctorInterface< T, NDIM >
• set_lindep() : madness::projector_irrep
• set_max_batch_size() : madness::MacroTaskPartitioner
• set_max_mem_limit() : madness::WorldMemInfo
• set_max_reducebcast_msg_size() : madness::WorldGopInterface
• set_max_refine_level() : madness::FunctionDefaults< NDIM >
• set_maxrank() : madness::RandomizedMatrixDecomposition< T >
• set_maxsub() : madness::NonlinearSolverND< NDIM >, madness::XNonlinearSolver< T, C, Alloc >
• set_method() : madness::Localizer
• set_metric() : madness::Localizer
• set_min_batch_size() : madness::MacroTaskPartitioner
• set_molecular_info() : madness::ElectronicStructureParams
• set_mos() : madness::MolecularOrbitals< T, NDIM >
• set_nclient() : madness::archive::BaseParallelArchive< Archive >
• set_norm_tree() : madness::FunctionNode< T, NDIM >
• set_npoints() : madness::PlotParameters
• set_nradial() : GridBuilder
• set_nsubworld() : madness::MacroTaskPartitioner
• set_nthread() : madness::PoolTaskInterface, madness::TaskAttributes
• set_occs2() : madness::Solver< T, NDIM >
• set_operator() : madness::TwoBodyFunctionPureComponent< T, NDIM >, madness::TwoBodyFunctionSeparatedComponent< T, NDIM >
• set_ordering() : madness::projector_irrep
• set_origin() : GridBuilder, madness::PlotParameters
• set_orthomethod() : madness::LowRankFunctionFactory< T, NDIM, LDIM >
• set_orthonormalize_irreps() : madness::projector_irrep
• set_particle() : madness::ProjectorBase, madness::QProjector< T, NDIM >, madness::SeparatedConvolution< Q, NDIM >, madness::StrongOrthogonalityProjector< T, NDIM >
• set_pending() : madness::AmArg
• set_plane() : madness::PlotParameters
• set_pmap() : madness::FunctionDefaults< NDIM >, madness::MacroTaskQ
• set_poisson() : madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >
• set_policy() : madness::MacroTaskPartitioner
• set_pool_thread_index() : madness::ThreadBase
• set_potential() : madness::LocalPotentialOperator< T, NDIM >
• set_print_timings() : madness::SCF
• set_printlevel() : madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >, madness::Exchange< T, NDIM >, madness::MacroTaskQ
• set_priority() : madness::MacroTaskBase
• set_project_randomize() : madness::FunctionDefaults< NDIM >
• set_protocol() : Calculation, madness::Nemo, madness::SCF
• set_pseudo_atom() : madness::Molecule
• set_radius() : madness::LowRankFunctionFactory< T, NDIM, LDIM >
• set_rank_revealing_tol() : madness::LowRankFunctionFactory< T, NDIM, LDIM >
• set_rcut() : madness::CorePotentialManager, madness::Molecule
• set_reduction_algorithm() : madness::SVDTensor< T >
• set_reference() : madness::OEP, madness::TDHF
• set_refine() : madness::FunctionDefaults< NDIM >
• set_rmi_task_is_running() : madness::RMI::RmiTask
• set_rscale() : madness::NuclearDensityFunctor
• set_running() : madness::MacroTaskBase
• set_size() : BoysLocalization, Fcwf_vector_allocator, madness::AmArg
• set_size_and_dim() : madness::SRConf< T >, madness::TensorTrain< T >
• set_snorm() : madness::FunctionNode< T, NDIM >
• Set_source() : SafeMPI::Status
• set_spaces() : madness::Projector< T, NDIM >, madness::QProjector< T, NDIM >, madness::StrongOrthogonalityProjector< T, NDIM >
• set_special_level() : madness::FunctionDefaults< NDIM >
• set_src() : madness::AmArg
• set_stealable() : madness::TaskAttributes
• set_symmetric() : madness::Exchange< T, NDIM >
• Set_tag() : SafeMPI::Status
• set_taskq() : madness::Coulomb< T, NDIM >, madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >, madness::Exchange< T, NDIM >
• set_tensor_args() : madness::FunctionImpl< T, NDIM >
• set_tensor_type() : madness::FunctionDefaults< NDIM >
• set_test() : madness::QuasiNewton
• set_this_thread_is_server() : madness::RMI
• set_thresh() : madness::Function< T, NDIM >, madness::FunctionDefaults< NDIM >, madness::FunctionImpl< T, NDIM >
• set_trace() : madness::WorldMemInfo
• set_tree_state() : madness::FunctionImpl< T, NDIM >
• set_truncate_mode() : madness::FunctionDefaults< NDIM >
• set_truncate_on_project() : madness::FunctionDefaults< NDIM >
• set_update() : madness::QuasiNewton, QuasiNewton
• set_user_defined_value() : madness::QCCalculationParametersBase, madness::QCParameter
• set_user_state() : madness::World
• set_value() : linked_list
• set_vectors_and_weights() : madness::SRConf< T >
• set_verbosity() : madness::projector_irrep
• set_volume_element() : madness::LowRankFunctionFactory< T, NDIM, LDIM >
• set_wait_policy() : madness::ConditionVariable, madness::DQueue< T >, madness::ThreadPool
• set_waiting() : madness::MacroTaskBase
• set_worldid() : madness::AmArg
• set_zoom() : madness::PlotParameters
• setfac() : madness::ConvolutionND< Q, NDIM >
• setMaskFunction() : madness::DomainMaskSDFFunctor< NDIM >
• setop() : madness::ConvolutionND< Q, NDIM >
• setstate() : madness::Random
• sgl_guess() : sgl_guess
• sgn() : madness::BasisFunctions::SolidHarmonicGaussian
• ShallowNode() : madness::ShallowNode< T, NDIM >
• shared_ptr_from_id() : madness::World
• shells_to_bfn() : madness::AtomicBasisSet
• shift() : DiracParameters, madness::AC< NDIM >, madness::Nemo_complex_Parameters
• Shmoo() : madness::GenericConvolution1D< Q, opT >::Shmoo
• sigma() : madness::KernelRange::Restrictor, madness::KernelRange
• sigma_inverse() : madness::KernelRange::Restrictor
• Sigma_ncf_cusp() : Sigma_ncf_cusp
• signal() : madness::ConditionVariable, madness::PthreadConditionVariable
• simple() : madness::Random
• simple_hash() : madness::MyPmap< D >
• SimpleCache() : madness::SimpleCache< Q, NDIM >
• SimplePmap() : madness::SimplePmap< keyT >
• SimpleUnaryOpWrapper() : madness::Function< T, NDIM >::SimpleUnaryOpWrapper
• singles_name() : madness::CC2
• size() : Fcwf, madness::AmArg, madness::archive::BufferOutputArchive, madness::BaseTensor, madness::Batch_1D, madness::CC_vecfunction, madness::ConcurrentHashMap< keyT, valueT, hashfunT >, madness::DQueue< T >, madness::Function< T, NDIM >, madness::FunctionImpl< T, NDIM >, madness::FunctionNode< T, NDIM >, madness::GenTensor< T >, madness::Group::Impl, madness::Group, madness::Hash_private::bin< keyT, valueT >, madness::LowRankFunction< T, NDIM, LDIM >, madness::MacroTaskQ, madness::MolecularOrbitals< T, NDIM >, madness::Range< iteratorT >, madness::Recordlist< keyT >, madness::response_space, madness::Stack< T, N >, madness::TensorTrain< T >, madness::ThreadPool, madness::Vector< T, N >, madness::World, madness::WorldContainer< keyT, valueT, hashfunT >, madness::WorldContainerImpl< keyT, valueT, hashfunT >, madness::WorldDCRedistributeInterface< keyT >, madness::WorldMpiInterface, madness::WorldTaskQueue
• size_local() : madness::Function< T, NDIM >, madness::FunctionImpl< T, NDIM >
• size_of_input() : madness::Batch
• size_orbitals() : madness::response_space
• Slater() : madness::Slater
• slater() : madness::TwoElectronFactory< T, NDIM >, slater
• slater_apply() : madness::apply_kernel_helper
• slater_fit() : madness::GFit< T, NDIM >
• slater_kernel() : madness::slater_kernel
• slater_kernel_apply() : madness::slater_kernel_apply
• SlaterF12Interface() : madness::SlaterF12Interface
• SlaterFit() : madness::GFit< T, NDIM >
• SlaterFunctionInterface() : madness::SlaterFunctionInterface
• Slice() : madness::Slice
• SliceLowRankTensor() : madness::SliceLowRankTensor< T >
• SliceTensor() : madness::SliceTensor< T >
• smallest_length_scale() : madness::Molecule, MolecularEntity
• smooth() : madness::smooth< T, NDIM >
• smooth_density() : madness::smooth< T, NDIM >
• smooth_density_from_orbitals() : madness::smooth< T, NDIM >
• smooth_sigma() : madness::smooth< T, NDIM >
• smoothed_unitvec() : madness::NuclearCorrelationFactor
• smoothen() : madness::Nemo
• sock_it_to_me() : madness::FunctionImpl< T, NDIM >
• sock_it_to_me_too() : madness::FunctionImpl< T, NDIM >
• SolidHarmonicGaussian() : madness::BasisFunctions::SolidHarmonicGaussian
• solve() : DF, madness::CC2, madness::DFT< T, NDIM >, madness::EigSolver< T, NDIM >, madness::Nemo, madness::OEP, madness::PNO, madness::SCF, madness::Solver< T, NDIM >, madness::SpectralPropagator, SolverInterface, SVPESolver
• solve_cc2() : madness::CC2
• solve_ccs() : madness::CC2
• solve_cis() : madness::TDHF
• solve_cispd() : madness::CC2, madness::PNO
• solve_coupled_equations() : madness::MP2
• solve_cphf() : madness::Nemo
• solve_lrcc2() : madness::CC2
• solve_mp2() : madness::PNO
• solve_mp2_coupled() : madness::CC2
• solve_occupied() : DF
• solve_residual_equations() : madness::MP2
• solve_sequential() : madness::SystolicMatrixAlgorithm< T >
• solve_tdhf() : madness::TDHF
• Solver() : madness::Solver< T, NDIM >
• sort_to_irreps() : madness::projector_irrep
• sort_xfunctions() : madness::TDHF
• sorter() : madness::BinSorter< T, inserterT >
• source_name() : madness::Molecule::GeometryParameters
• source_type() : madness::Molecule::GeometryParameters
• Sp() : madness::AdhocNuclearCorrelationFactor, madness::GaussSlater, madness::GradientalGaussSlater, madness::LinearSlater, madness::NuclearCorrelationFactor, madness::poly4erfc, madness::Polynomial< N >, madness::PseudoNuclearCorrelationFactor, madness::Slater
• spawn_remote_task_handler() : madness::WorldObject< Derived >
• special_level() : AtomicBasisFunctor< Q >, ExactSpinor, FermiNucDistFunctor, GaussianFunctor, Guess, madness::BasisFunctions::SolidHarmonicGaussian, madness::FunctionFactory< T, NDIM >, madness::FunctionFunctorInterface< T, NDIM >, madness::NuclearDensityFunctor, madness::ProjRLMFunctor, madness::SAPFunctor, madness::ScalingFunctionFunctor< 1 >, madness::ScalingFunctionFunctor< NDIM, std::enable_if_t< std::greater{}(NDIM, 1)> >, madness::VLocalFunctor, MolecularNuclearChargeDensityFunctor, ncf, slymer::Gaussian_Functor, stepfunction
• special_points() : AtomicBasisFunctor< Q >, AtomicOrbitalFunctor, ExactSpinor, F, FermiNucDistFunctor, Gaussian< T, NDIM >, GaussianFunctor, Guess, madchem::AtomicAttractionFunctor, madchem::AtomicBasisFunctor, madchem::MolecularDerivativeFunctor, madchem::MolecularGuessDensityFunctor, madchem::MolecularSecondDerivativeFunctor, madness::atomic_attraction, madness::BasisFunctions::SolidHarmonicGaussian, madness::FunctionFactory< T, NDIM >, madness::FunctionFunctorInterface< T, NDIM >, madness::harmonic_potential_boxed, madness::MolecularCorePotentialFunctor, madness::MolecularPotentialFunctor, madness::NuclearCorrelationFactor::R_functor, madness::NuclearCorrelationFactor::RX_functor, madness::NuclearCorrelationFactor::square_times_V_derivative_functor, madness::NuclearCorrelationFactor::square_times_V_functor, madness::NuclearCorrelationFactor::U1_atomic_functor, madness::NuclearCorrelationFactor::U1_dot_U1_functor, madness::NuclearCorrelationFactor::U1_functor, madness::NuclearCorrelationFactor::U1X_functor, madness::NuclearCorrelationFactor::U2_atomic_functor, madness::NuclearCorrelationFactor::U2_functor, madness::NuclearCorrelationFactor::U2X_functor, madness::NuclearCorrelationFactor::U3_atomic_functor, madness::NuclearCorrelationFactor::U3_functor, madness::NuclearCorrelationFactor::U3X_functor, madness::NuclearDensityFunctor, madness::ProjRLMFunctor, madness::SAPFunctor, madness::ScalingFunctionFunctor< 1 >, madness::ScalingFunctionFunctor< NDIM, std::enable_if_t< std::greater{}(NDIM, 1)> >, madness::VLocalFunctor, madness::WignerSeitzPotentialFunctor, madness::WSTAtomicBasisFunctor, MolecularMaskBase, MolecularNuclearChargeDensityFunctor, MolecularPotentialFunctor, MolecularSurface, MolecularVolumeComplementMask, MolecularVolumeExponentialSwitch, MolecularVolumeExponentialSwitchLogGrad, MolecularVolumeMask, MolecularVolumeMaskGrad, ncf, slymer::Gaussian_Functor, stepfunction
• special_refinement_needed() : madness::Leaf_op< T, NDIM, opT, specialboxT >, madness::Leaf_op_other< T, NDIM >
• Specialbox_op() : madness::Specialbox_op< T, NDIM >
• SpectralPropagator() : madness::SpectralPropagator
• SpectralPropagatorGaussLobatto() : madness::SpectralPropagatorGaussLobatto
• Sphere() : Sphere
• spherical_box() : madness::spherical_box< NDIM >
• spherical_harmonic() : spherical_harmonic
• SphericalHarmonics() : SphericalHarmonics
• spin_restricted() : madness::CalculationParameters
• spindensity() : madness::QCPropertyInterface
• Spinlock() : madness::Spinlock
• Spinor() : Spinor
• spinorallocator() : spinorallocator
• spinrestricted() : madness::ResponseParameters
• split() : madness::commandlineparser, madness::Zcis
• Split() : SafeMPI::Intracomm
• Split_type() : SafeMPI::Intracomm
• splitdim() : madness::Tensor< T >, madness::TensorTrain< T >
• splitdim_inplace() : madness::BaseTensor
• Spp_div_S() : madness::AdhocNuclearCorrelationFactor, madness::GaussSlater, madness::GradientalGaussSlater, madness::LinearSlater, madness::NuclearCorrelationFactor, madness::poly4erfc, madness::Polynomial< N >, madness::PseudoNuclearCorrelationFactor, madness::Slater
• square() : madness::Function< T, NDIM >, madness::NuclearCorrelationFactor
• square_inplace() : madness::FunctionImpl< T, NDIM >
• square_times_V_derivative() : madness::NuclearCorrelationFactor
• square_times_V_derivative_functor() : madness::NuclearCorrelationFactor::square_times_V_derivative_functor
• square_times_V_functor() : madness::NuclearCorrelationFactor::square_times_V_functor
• Sr_div_S() : madness::AdhocNuclearCorrelationFactor, madness::GaussSlater, madness::GradientalGaussSlater, madness::LinearSlater, madness::NuclearCorrelationFactor, madness::poly4erfc, madness::Polynomial< N >, madness::PseudoNuclearCorrelationFactor, madness::Slater
• srand() : madness::World
• SRConf() : madness::SRConf< T >
• Srr_div_S() : madness::AdhocNuclearCorrelationFactor, madness::GaussSlater, madness::GradientalGaussSlater, madness::LinearSlater, madness::NuclearCorrelationFactor, madness::poly4erfc, madness::Polynomial< N >, madness::PseudoNuclearCorrelationFactor, madness::Slater
• Srrr_div_S() : madness::AdhocNuclearCorrelationFactor, madness::GaussSlater, madness::GradientalGaussSlater, madness::LinearSlater, madness::NuclearCorrelationFactor, madness::poly4erfc, madness::Polynomial< N >, madness::PseudoNuclearCorrelationFactor, madness::Slater
• Stack() : madness::Stack< T, N >
• standard() : madness::Function< T, NDIM >, madness::FunctionImpl< T, NDIM >
• start() : madness::CCTimer, madness::ElectronPairIterator, madness::MyTimer, madness::profiling::TaskEvent, madness::Thread, madness::ThreadBase
• start_iteration_hook() : madness::SystolicFixOrbitalOrders, madness::SystolicMatrixAlgorithm< T >, madness::SystolicPMOrbitalLocalize, TestSystolicMatrixAlgorithm< T >
• start_timer() : DF
• START_TIMER() : madness::MP2, madness::Solver< T, NDIM >
• Status() : SafeMPI::Status
• SteepestDescent() : madness::SteepestDescent, SteepestDescent
• step() : madness::SpectralPropagator, madness::SpectralPropagatorGaussLobatto
• step_restriction() : madness::Solver< T, NDIM >
• stepfunction() : stepfunction
• stop() : madness::CCTimer, madness::ElectronPairIterator, madness::MyTimer, madness::profiling::TaskEvent
• store() : madness::archive::ArchiveStoreImpl< Archive, T, Enabler >, madness::archive::ArchiveStoreImpl< Archive, C >, madness::archive::ArchiveStoreImpl< Archive, const DerivativeBase< T, NDIM > * >, madness::archive::ArchiveStoreImpl< Archive, const FunctionImpl< T, NDIM > * >, madness::archive::ArchiveStoreImpl< Archive, const SeparatedConvolution< T, NDIM > * >, madness::archive::ArchiveStoreImpl< Archive, detail::RemoteCounter >, madness::archive::ArchiveStoreImpl< Archive, detail::WorldPtr< T > >, madness::archive::ArchiveStoreImpl< Archive, FunctionImpl< T, NDIM > * >, madness::archive::ArchiveStoreImpl< Archive, Future< T >, std::enable_if_t<!std::is_void_v< T > > >, madness::archive::ArchiveStoreImpl< Archive, Future< void > >, madness::archive::ArchiveStoreImpl< Archive, GenTensor< T > >, madness::archive::ArchiveStoreImpl< Archive, Key< NDIM > >, madness::archive::ArchiveStoreImpl< Archive, linked_list >, madness::archive::ArchiveStoreImpl< Archive, std::allocator< T >, std::enable_if_t<!is_future< T >::value &&is_serializable_v< Archive, T > > >, madness::archive::ArchiveStoreImpl< Archive, std::array< T, N >, std::enable_if_t< is_serializable_v< Archive, T > > >, madness::archive::ArchiveStoreImpl< Archive, std::complex< T >, std::enable_if_t< is_serializable_v< Archive, T > > >, madness::archive::ArchiveStoreImpl< Archive, std::list< T, Alloc >, std::enable_if_t<!is_future< T >::value &&is_serializable_v< Archive, T > > >, madness::archive::ArchiveStoreImpl< Archive, std::map< T, Q, Compare, Alloc >, std::enable_if_t< is_serializable_v< Archive, T > &&is_serializable_v< Archive, Q > > >, madness::archive::ArchiveStoreImpl< Archive, std::set< T, Compare, Alloc >, std::enable_if_t<!is_future< T >::value &&is_serializable_v< Archive, T > > >, madness::archive::ArchiveStoreImpl< Archive, std::shared_ptr< const FunctionImpl< T, NDIM > > >, madness::archive::ArchiveStoreImpl< Archive, std::shared_ptr< FunctionImpl< T, NDIM > > >, madness::archive::ArchiveStoreImpl< Archive, std::string >, madness::archive::ArchiveStoreImpl< Archive, std::vector< bool, Alloc > >, madness::archive::ArchiveStoreImpl< Archive, std::vector< Future< T > > >, madness::archive::ArchiveStoreImpl< Archive, std::vector< T, Alloc >, std::enable_if_t<!is_future< T >::value &&is_serializable_v< Archive, T > > >, madness::archive::ArchiveStoreImpl< Archive, Tensor< T > >, madness::archive::ArchiveStoreImpl< Archive, World * >, madness::archive::ArchiveStoreImpl< BufferOutputArchive, const WorldObject< Derived > * >, madness::archive::ArchiveStoreImpl< BufferOutputArchive, WorldObject< Derived > * >, madness::archive::ArchiveStoreImpl< ParallelOutputArchive< archiveT >, CCPairFunction< T, NDIM > >, madness::archive::ArchiveStoreImpl< ParallelOutputArchive< archiveT >, Function< T, NDIM > >, madness::archive::ArchiveStoreImpl< ParallelOutputArchive< ContainerRecordOutputArchive >, WorldContainer< keyT, valueT > >, madness::archive::ArchiveStoreImpl< ParallelOutputArchive< localarchiveT >, WorldContainer< keyT, valueT > >, madness::archive::ArchiveStoreImpl< ParallelOutputArchive< VectorOutputArchive >, WorldContainer< keyT, valueT > >, madness::archive::BinaryFstreamOutputArchive, madness::archive::BufferOutputArchive, madness::archive::ContainerRecordOutputArchive, madness::archive::MPIOutputArchive, madness::archive::MPIRawOutputArchive, madness::archive::TextFstreamOutputArchive, madness::archive::VectorOutputArchive, madness::Cloud, madness::Function< T, NDIM >, madness::FunctionImpl< T, NDIM >, madness::madness::archive::ArchiveStoreImpl< Archive, std::shared_ptr< ScalarResultImpl< T > > >
• store_() : madness::detail::RemoteCounter
• store_end_tag() : madness::archive::TextFstreamOutputArchive
• store_internal_() : madness::detail::WorldPtr< T >
• store_other() : madness::Cloud
• store_pair() : madness::CCPair, madness::ElectronPair
• store_potential() : madness::ResponseParameters, madness::TDHF::TDHFParameters
• store_start_tag() : madness::archive::TextFstreamOutputArchive
• store_tuple() : madness::Cloud
• str() : madness::particle< PDIM >
• stride() : madness::BaseTensor
• strides() : madness::BaseTensor
• StrongOrthogonalityProjector() : madness::StrongOrthogonalityProjector< T, NDIM >
• submit() : madness::PoolTaskInterface
• Submit() : madness::TaskInterface::Submit
• subsection() : madness::CCMessenger
• Subspace() : madness::Subspace< T, NDIM >, Subspace
• SubspaceK() : madness::SubspaceK< T, NDIM >
• sum() : madness::Function< T, NDIM >, madness::LBNodeDeux< NDIM >, madness::LoadBalanceDeux< NDIM >, madness::Tensor< T >, madness::WorldGopInterface, madness::WorldTaskQueue
• sum_down() : madness::Function< T, NDIM >, madness::FunctionImpl< T, NDIM >
• sum_down_spawn() : madness::FunctionImpl< T, NDIM >
• sumsq() : madness::Tensor< T >
• supports_vectorized() : madness::FunctionFunctorInterface< T, NDIM >, madness::ProjRLMFunctor
• surface() : madness::DomainMaskInterface, madness::GaussianDomainMask, madness::LLRVDomainMask
• surface_thickness() : madness::BoxSurfaceDisplacementRange< NDIM >
• SurfaceIntegral() : ConstantSphere, CosineSphere, EmbeddedDirichlet, InhomoConstantSphere, Y20Sphere
• SurfaceMoleculeInteraction() : SurfaceMoleculeInteraction
• svd_normf() : madness::GenTensor< T >, madness::SRConf< T >
• SVDTensor() : madness::SVDTensor< T >
• SVPESolver() : SVPESolver
• swap() : madness::detail::RemoteCounter, madness::detail::WorldPtr< T >, madness::Pairs< T >, madness::RemoteReference< T >, madness::Vector< T, N >
• swap_ab() : madness::Complex_CIS_Parameters
• swap_particles() : madness::CCPairFunction< T, NDIM >
• swap_particles_inplace() : madness::TwoBodyFunctionComponentBase, madness::TwoBodyFunctionPureComponent< T, NDIM >, madness::TwoBodyFunctionSeparatedComponent< T, NDIM >
• swapaxes() : madness::Molecule
• swapdim() : madness::Tensor< T >
• swapdim_inplace() : madness::BaseTensor
• symbol() : madness::pg_operator
• symmetric() : madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >
• symmetrize() : madness::TDHF
• symmetrize_and_identify_point_group() : madness::Molecule
• symmetrize_for_op() : madness::Molecule
• symtol() : madness::Molecule::GeometryParameters
• SystolicFixOrbitalOrders() : madness::SystolicFixOrbitalOrders
• SystolicMatrixAlgorithm() : madness::SystolicMatrixAlgorithm< T >
• SystolicPMOrbitalLocalize() : madness::SystolicPMOrbitalLocalize