Referenced by madness::BinaryOpStructure< NDIM >::BinaryOpStructure(), madness::BinaryOpStructure< NDIM >::BinaryOpStructure(), madness::BoundaryConditions< NDIM >::BoundaryConditions(), madness::BoundaryConditions< NDIM >::BoundaryConditions(), madness::BoundaryConditions< NDIM >::BoundaryConditions(), madness::BoxSurfaceDisplacementRange< NDIM >::BoxSurfaceDisplacementRange(), madness::cartesian_grid< NDIM >::cartesian_grid(), madness::CompositeFactory< T, NDIM, MDIM >::CompositeFactory(), madness::Derivative< double, 1 >::Derivative(), madness::DerivativeBase< T, NDIM >::DerivativeBase(), madness::DFTCoulombOp< T, NDIM >::DFTCoulombOp(), madness::DFTCoulombPeriodicOp< T, NDIM >::DFTCoulombPeriodicOp(), madness::dftgrid< NDIM >::dftgrid(), madness::DFTNuclearChargeDensityOp< T, NDIM >::DFTNuclearChargeDensityOp(), madness::DFTNuclearPotentialOp< T, NDIM >::DFTNuclearPotentialOp(), madness::Displacements< NDIM >::Displacements(), madness::ElectronRepulsionInterface< T, NDIM >::ElectronRepulsionInterface(), madness::Exchange< T, NDIM >::Exchange(), madness::Exchange< T, NDIM >::Exchange(), madness::Exchange< T, NDIM >::Exchange(), madness::Exchange< T, NDIM >::Exchange(), madness::FinalizeReducer< T, NDIM >::FinalizeReducer(), madness::Function< double, 3 >::Function(), madness::FunctionCommonData< T, NDIM >::FunctionCommonData(), madness::FunctionCommonFunctionality< T, NDIM >::FunctionCommonFunctionality(), madness::FunctionFactory< double, 3 >::FunctionFactory(), madness::FunctionImpl< T, LDIM >::FunctionImpl(), madness::FunctionImpl< T, LDIM >::FunctionImpl(), FunctionIOData< T, NDIM >::FunctionIOData(), madness::FunctionSpace< T, NDIM >::FunctionSpace(), GaussianGuess< T, NDIM >::GaussianGuess(), GaussianGuess< T, NDIM >::GaussianGuess(), madness::GeneralTwoElectronInterface< T, NDIM >::GeneralTwoElectronInterface(), madness::FunctionImpl< T, NDIM >::hartree_op< LDIM, leaf_opT >::hartree_op(), madness::HartreeFockCoulombOp< T, NDIM >::HartreeFockCoulombOp(), madness::HartreeFockExchangeOp< T, NDIM >::HartreeFockExchangeOp(), madness::HartreeFockNuclearPotentialOp< T, NDIM >::HartreeFockNuclearPotentialOp(), HO_function< NDIM >::HO_function(), madness::BoxSurfaceDisplacementRange< NDIM >::Iterator::Iterator(), madness::Leaf_op_other< T, NDIM >::Leaf_op_other(), madness::Leaf_op_other< T, NDIM >::Leaf_op_other(), madness::LoadBalanceDeux< NDIM >::LoadBalanceDeux(), madness::MemoryMeasurer::MemKey::MemKey(), NuclearChargeDensityOp< T, NDIM >::NuclearChargeDensityOp(), madness::NuclearCuspyBox_op< T, NDIM >::NuclearCuspyBox_op(), madness::NuclearCuspyBox_op< T, NDIM >::NuclearCuspyBox_op(), ParserHandler< T, NDIM >::ParserHandler(), madness::FunctionImpl< T, NDIM >::recursive_apply_op< opT, LDIM >::recursive_apply_op(), madness::FunctionImpl< T, NDIM >::recursive_apply_op_vec< opT, LDIM >::recursive_apply_op_vec(), madness::ScalingFunctionFunctor< NDIM, std::enable_if_t< std::greater{}(NDIM, 1)> >::ScalingFunctionFunctor(), madness::SeparatedConvolution< double, 3 >::SeparatedConvolution(), madness::SeparatedConvolution< double, 3 >::SeparatedConvolution(), madness::SeparatedConvolution< double, 3 >::SeparatedConvolution(), madness::LowRankFunctionFactory< T, NDIM, LDIM >::ThreshGuard::ThreshGuard(), madness::TwoElectronFactory< T, NDIM >::TwoElectronFactory(), madness::TwoElectronInterface< T, NDIM >::TwoElectronInterface(), madness::UnaryOpStructure< NDIM >::UnaryOpStructure(), madness::VectorSpace< T, NDIM >::VectorSpace(), madness::XCFunctionalLDA< T, NDIM >::XCFunctionalLDA(), madness::abs(), madness::abs_square(), madness::add(), madness::add(), madness::MemoryMeasurer::add_memory_to_map(), madness::FunctionImpl< T, NDIM >::add_scalar_inplace(), madness::BoxSurfaceDisplacementRange< NDIM >::Iterator::advance(), madness::AC< NDIM >::apply(), madness::apply(), madness::apply(), madness::SeparatedConvolution< double, 3 >::apply(), madness::SeparatedConvolution< double, 3 >::apply2(), madness::SeparatedConvolution< double, 3 >::apply2_lowdim(), madness::apply_1d_realspace_push(), madness::ExchangeCommutator::apply_KffK_lowrank_split_alpha(), madness::ExchangeCommutator::apply_KffK_lowrank_three_range(), madness::apply_only(), madness::projector_irrep::apply_symmetry_operators(), madness::SeparatedConvolution< double, 3 >::apply_transformation(), madness::SeparatedConvolution< double, 3 >::apply_transformation2(), madness::SeparatedConvolution< double, 3 >::apply_transformation3(), madness::Displacements< NDIM >::axes_mask(), bench_cell(), madness::binary_op(), bind_function_type(), madness::Displacements< NDIM >::bmax_axes(), madness::Displacements< NDIM >::bmax_default(), madness::Specialbox_op< T, NDIM >::box_is_at_boundary(), madness::BoxSurfaceDisplacementRange< NDIM >::box_radius(), madness::Key< D >::break_apart(), madness::GFit< T, NDIM >::BSHFit(), cell_extent(), madness::SeparatedConvolution< double, 3 >::check_cubic(), madness::FunctionImpl< T, NDIM >::child_patch(), madness::FunctionCommonFunctionality< T, NDIM >::coeffs2values(), madness::FunctionCommonFunctionality< T, NDIM >::coeffs2values(), madness::FunctionImpl< T, LDIM >::coeffs2values(), madness::FunctionImpl< T, LDIM >::coeffs2values(), madness::SeparatedConvolution< double, 3 >::combine(), madness::composite_inner_apply(), madness::composite_product_apply(), madness::FunctionImpl< T, NDIM >::compress_spawn(), madness::MolecularOrbitals< T, NDIM >::compute_center(), madness::NemoBase::compute_density(), madness::NemoBase::compute_kinetic_energy(), madness::NemoBase::compute_kinetic_energy1a(), madness::ExchangeCommutator::compute_lrf_exchange_operator(), madness::BoxSurfaceDisplacementRange< NDIM >::compute_probing_displacement(), convg(), FunctionIOData< T, NDIM >::create_function(), madness::projector_irrep::create_symmetry_adapted_basis(), madness::projector_irrep::create_symmetry_adapted_basis(), madness::cross(), dfunc(), diff(), madness::Function< double, 3 >::dirac_convolution(), madness::Key< D >::distsq(), madness::Key< D >::distsq_bc(), madness::Key< D >::distsq_bc(), madness::Key< D >::distsq_images_impl(), madness::div_deriv(), madness::FunctionImpl< T, LDIM >::do_apply(), madness::FunctionImpl< T, LDIM >::do_apply_directed_screening(), madness::FunctionImpl< T, LDIM >::do_apply_kernel3(), madness::FunctionImpl< T, LDIM >::do_binary_op(), madness::DerivativeBase< T, NDIM >::do_diff1(), madness::Derivative< double, 1 >::do_diff2b(), madness::FunctionImpl< T, LDIM >::do_mul(), madness::FunctionImpl< T, NDIM >::do_print_grid(), madness::FunctionImpl< T, NDIM >::do_print_tree_graphviz(), Plotter::dolineplot(), Plotter::dolineplot(), Plotter::dovolumeplot(), Plotter::dovolumeplot(), madness::FunctionImpl< T, NDIM >::downsample(), madness::FunctionImpl< T, LDIM >::err_box(), madness::SeparatedConvolution< double, 3 >::estimate_costs(), madness::Function< double, 3 >::eval(), madness::FunctionImpl< T, NDIM >::eval(), madness::Function< double, 3 >::eval_cube(), madness::FunctionImpl< T, NDIM >::eval_cube(), madness::Function< double, 3 >::eval_local_only(), madness::Function< double, 3 >::eval_local_only(), madness::FunctionImpl< T, NDIM >::eval_local_only(), madness::FunctionImpl< T, NDIM >::eval_local_only(), madness::FunctionImpl< Q, NDIM >::eval_local_only(), madness::FunctionImpl< T, NDIM >::eval_plot_cube(), madness::FunctionImpl< Q, NDIM >::eval_plot_cube(), PyFunctor< T, NDIM >::eval_scalar_loop(), PyFunctor< T, NDIM >::eval_vectorized(), madness::Function< double, 3 >::evaldepthpt(), madness::FunctionImpl< T, NDIM >::evaldepthpt(), madness::FunctionImpl< Q, NDIM >::evaldepthpt(), madness::Function< double, 3 >::evalR(), madness::FunctionImpl< T, NDIM >::evalR(), exact_extra(), exact_pair_sum(), exact_u(), exact_uc(), exact_ucd(), exact_ud(), exact_Vphi(), madness::Key< D >::extract_back(), madness::Key< D >::extract_complement_key(), madness::Key< D >::extract_front(), f12_lambda(), madness::fcube(), madness::fcube(), madness::fcube(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), filter_moments_inplace(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::finalize_chunk_entries(), func(), madness::function_real2complex(), madness::DerivativeBase< T, NDIM >::FunctionImpl< T, NDIM >, g_phi_i_phi_j(), gaussian_func(), madness::randomgrid< NDIM >::gaussian_random_distribution(), madness::gaxpy(), madness::VectorSpace< T, NDIM >::gaxpy(), madness::gaxpy_oop(), madness::FunctionImpl< Q, NDIM >::gaxpy_oop_reconstructed(), madness::FunctionDefaults< 1 >::get_bc(), madness::cartesian_grid< NDIM >::get_coordinates(), madness::atom_information< NDIM >::get_distance(), madness::int_factor_functor< NDIM >::get_distance(), madness::lr_pot_functor< NDIM >::get_distance(), xc_functor< NDIM >::get_distance(), madness::molecular_grid< NDIM >::get_grid(), madness::randomgrid< NDIM >::get_grid(), madness::SeparatedConvolution< double, 3 >::get_source_key(), madness::SeparatedConvolution< double, 3 >::getmuop(), madness::SeparatedConvolution< double, 3 >::getmuop_modified(), madness::SeparatedConvolution< double, 3 >::getop_modified(), golden_check_ndim(), madness::grad(), madness::grad_ble_one(), madness::grad_ble_two(), madness::grad_bpsline_two(), madness::grad_bspline_one(), madness::grad_bspline_three(), madness::gradient_operator(), madness::imag(), madness::imag(), madness::LBNodeDeux< NDIM >::index(), madness::SeparatedConvolution< double, 3 >::init_lattice_summed(), madness::SeparatedConvolution< double, 3 >::init_range(), data< T, NDIM >::initialize(), madness::cartesian_grid< NDIM >::initialize(), FunctionIOData< T, NDIM >::initialize_func_coeffs(), madness::SeparatedConvolution< double, 3 >::initialize_images_only(), madness::inner(), madness::inner(), madness::inner(), madness::inner(), madness::VectorSpace< T, NDIM >::inner(), madness::FunctionImpl< T, LDIM >::inner_ext_recursive(), madness::FunctionImpl< T, LDIM >::inner_ij_u_eri(), madness::innerXX(), madness::Key< D >::is_farther_out_than(), madness::Key< D >::is_neighbor_of(), madness::Key< D >::is_neighbor_of(), madness::BoundaryConditions< NDIM >::is_periodic_all(), madness::BoundaryConditions< NDIM >::is_periodic_any(), madness::Key< D >::KeyChildIterator< NDIM >, kinetic_energy_matrix(), madness::Kinetic< T, NDIM >::kinetic_energy_matrix(), madness::Kinetic< T, NDIM >::kinetic_energy_matrix(), madness::Kinetic< double, 3 >::kinetic_energy_matrix(), kinetic_energy_matrix2(), kinetic_energy_matrix_slow(), laplacian(), madness::lattice_finite_reach(), madness::BoundaryConditions< NDIM >::lattice_range(), madness::ConvolutionND< Q, NDIM >::lattice_summed(), madness::Function< double, 3 >::load(), madness::FunctionImpl< Q, NDIM >::local_leaf_keys(), main(), madness::TwoElectronInterface< T, NDIM >::make_coeff(), madness::SeparatedConvolution< double, 3 >::make_coeff_for_operator(), madness::FunctionDefaults< 1 >::make_default_cell(), madness::FunctionDefaults< 1 >::make_default_cell_width(), madness::Displacements< NDIM >::make_disp(), madness::Displacements< NDIM >::make_disp_periodic(), make_ri_basis(), madness::smooth< T, NDIM >::make_sigma(), madness::detail::make_term_impl(), madness::SeparatedConvolution< double, 3 >::make_tt_representation(), madness::FunctionImpl< T, LDIM >::make_Vphi(), madness::FunctionImpl< T, LDIM >::make_Vphi_ij_u(), madness::Function< double, 3 >::map_and_mirror(), madness::TwoElectronInterface< T, NDIM >::map_coeff(), madness::Function< double, 3 >::mapdim(), madness::EigSolver< T, NDIM >::matrix_element(), madness::smooth< T, NDIM >::merge_functions(), madness::Key< D >::merge_with(), madness::Function< double, 3 >::mirror(), madness::FunctionImpl< T, LDIM >::mul(), madness::mul(), madness::mul(), madness::mul_sparse(), madness::FunctionImpl< T, NDIM >::multiply(), madness::multiply(), madness::SeparatedConvolution< double, 3 >::munorm2_modified(), madness::SeparatedConvolution< double, 3 >::munorm2_ns(), madness::SeparatedConvolution< double, 3 >::muopxv_fast(), madness::SeparatedConvolution< double, 3 >::muopxv_fast2(), madness::FunctionImpl< T, NDIM >::neighbor(), madness::FunctionImpl< T, NDIM >::neighbor_in_volume(), madness::VectorSpace< T, NDIM >::norm(), madness::FunctionImpl< T, LDIM >::NS_fcube_for_mul(), madness::FunctionImpl< T, LDIM >::NScoeffs2values(), DerivativeGaussian< T, NDIM >::operator()(), gauss< T, NDIM >::operator()(), Gaussian< T, NDIM >::operator()(), HeElectronicChargeDensityIGuess< T, NDIM >::operator()(), HeNuclearChargeDensityIGuess< T, NDIM >::operator()(), HO_function< NDIM >::operator()(), madness::BoxSurfaceDisplacementValidator< NDIM >::operator()(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::ComplexExp< NDIM >::operator()(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::operator()(), madness::DNuclear< T, NDIM >::operator()(), madness::ElectronCuspyBox_op< T, NDIM >::operator()(), madness::Function< double, 3 >::operator()(), madness::FunctionFunctorInterface< double, 3 >::operator()(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::operator()(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::operator()(), madness::FunctionImpl< T, NDIM >::do_map_and_mirror::operator()(), madness::FunctionImpl< T, NDIM >::do_mapdim::operator()(), madness::FunctionImpl< T, NDIM >::do_mirror::operator()(), madness::FunctionImpl< T, NDIM >::do_unary_op_value_inplace< opT >::operator()(), madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::operator()(), madness::hartree_leaf_op< T, NDIM >::operator()(), madness::hartree_leaf_op_vec< T, NDIM >::operator()(), madness::NuclearCuspyBox_op< T, NDIM >::operator()(), madness::pg_operator::operator()(), madness::projector_irrep::operator()(), madness::projector_irrep::operator()(), madness::projector_irrep::operator()(), madness::projector_irrep::operator()(), madness::ScalingFunctionFunctor< NDIM, std::enable_if_t< std::greater{}(NDIM, 1)> >::operator()(), Oscillatory< NDIM >::operator()(), ParserHandler< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), madness::LowRankFunction< T, NDIM, LDIM >::operator*(), madness::operator*(), madness::operator*(), madness::operator*(), madness::operator*(), madness::KeyChildIterator< NDIM >::operator++(), madness::operator-(), madness::Function< double, 3 >::operator-=(), madness::Key< D >::operator<(), madness::operator<<(), madness::BoundaryConditions< NDIM >::operator=(), madness::Key< D >::operator==(), madness::PlotParameters::origin(), madness::pair_energy_weights(), madness::Key< D >::parent(), madness::FunctionImpl< T, NDIM >::parent_to_child(), madness::SeparatedConvolution< double, 3 >::partial_upsample(), madness::Displacements< NDIM >::periodic(), madness::PeriodicBSHOp(), madness::PeriodicBSHOpPtr(), madness::PeriodicCoulombOp(), madness::PeriodicCoulombOpPtr(), madness::FunctionImpl< Q, NDIM >::plot_cube_kernel(), madness::plot_line(), madness::plot_line(), madness::plot_line(), madness::plot_line(), madness::plot_line(), madness::plot_line(), madness::plot_line(), madness::plot_plane(), madness::plot_plane(), madness::plot_plane(), madness::plotdx(), plotvtk(), madness::plotvtk_begin(), madness::plotvtk_data(), madness::plotvtk_data(), madness::plotvtk_end(), madness::FunctionDefaults< NDIM >::print(), madness::FunctionImpl< Q, NDIM >::print_plane(), madness::FunctionImpl< T, NDIM >::print_stats(), madness::print_tree_jsonfile(), madness::BoxSurfaceDisplacementRange< NDIM >::probing_displacement(), madness::BoxSurfaceDisplacementRange< NDIM >::probing_displacements(), madness::FunctionImpl< T, NDIM >::project(), madness::FunctionImpl< T, NDIM >::project(), madness::Function< double, 3 >::project_out(), random_sim_points(), RandomGaussian(), madness::OperatorInfo::range_as_array(), FunctionIO< double, D >::read_function(), read_function(), FunctionIO< double, D >::read_function_coeffs(), read_function_coeffs(), read_function_coeffs(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::FunctionImpl< T, LDIM >::read_grid2(), madness::real(), madness::real(), madness::Key< D >::real_distsq(), madness::Key< D >::real_distsq_bc(), madness::FunctionDefaults< 1 >::recompute_cell_info(), madness::MolecularOrbitals< T, NDIM >::recompute_irreps(), madness::redistribute_to_batches(), madness::rot(), run_batched_cell(), run_tests(), madness::BoxSurfaceDisplacementRange< NDIM >::Iterator::select_face(), FunctionIOData< T, NDIM >::set_function_coeffs(), madness::SCF::set_protocol(), madness::Displacements< NDIM >::set_width(), madness::sim_to_user(), sim_to_user(), madness::simpt2key(), simpt2key(), madness::BoxSurfaceDisplacementRange< NDIM >::skip_face(), madness::smooth< T, NDIM >::smooth_sigma(), madness::SmoothingOperator(), madness::FunctionFunctorInterface< double, 3 >::special_points(), madness::ScalingFunctionFunctor< NDIM, std::enable_if_t< std::greater{}(NDIM, 1)> >::special_points(), madness::BoxSurfaceDisplacementRange< NDIM >::Iterator::start_face(), madness::Function< double, 3 >::store(), madness::sub(), madness::BoxSurfaceDisplacementRange< NDIM >::surface_thickness(), madness::swap_particles(), madness::symmetrize(), madness::Function< double, 3 >::TENSOR_RESULT_TYPE(), madness::guessfactory::tensor_to_coord(), test_adaptive_diagnosis(), test_adaptive_grid_projection(), test_adaptive_project(), test_add(), test_apply(), test_apply_push_1d(), test_arithmetic(), test_asymmetric(), test_basic(), test_batched_ndim(), test_consolidate(), test_consolidate_vs_direct(), test_construction(), test_constructor(), test_conv(), test_converged_function(), test_convergence(), test_correctness_ndim(), test_cross(), test_ctor_orthonormalization(), test_diagnose_GQKffK(), test_diagnose_GQUe(), test_diagnose_GUe(), test_diagnose_Ue(), test_diff(), test_direct_projection(), test_dot(), test_gconv(), test_GQUe(), test_GUe(), test_hartree_product(), test_inner(), test_inner(), test_inner(), test_io(), test_kinetic(), test_load_store(), test_lowrank_function(), test_math(), test_matrix_mul_sparse(), test_molecular_grid(), test_multi_to_multi_op(), test_multiply(), test_multiply(), test_multiply_with_f12(), test_norm(), test_numerics(), test_op(), test_operator_apply(), test_orthonormalize_canonical(), test_orthonormalize_symmetric(), test_output_param_overload(), test_partial_inner_3d(), test_partial_inner_6d(), test_plot(), test_proj(), test_project_ab(), test_projector(), test_projector(), test_projector_outer(), test_Q12_projector(), test_recursive_apply(), test_redistribute_to_batches(), test_remove_lindep(), test_rot(), test_scalar_multiplication(), test_sum_down(), test_sum_down_files(), test_swap_particles(), test_transform(), test_transformations(), test_tt2d_summation(), test_unaryop(), test_vector_composite(), test_Vphi_ij_u(), test_with_function_vector(), madness::Key< D >::thisKeyContains(), madness::FunctionImpl< T, NDIM >::trace_local(), madness::transform(), madness::truncate(), madness::GFit< T, NDIM >::truncate_mixed_expansion(), madness::FunctionImpl< T, NDIM >::truncate_op(), madness::FunctionImpl< T, NDIM >::truncate_spawn(), madness::FunctionImpl< T, NDIM >::truncate_tol(), madness::CCConvolutionOperator< T, NDIM >::update_elements(), madness::FunctionImpl< T, NDIM >::upsample(), madness::user_to_sim(), GaussianGuess< T, NDIM >::val(), madness::FunctionCommonFunctionality< T, NDIM >::values2coeffs(), madness::FunctionCommonFunctionality< T, NDIM >::values2coeffs(), madness::FunctionImpl< T, LDIM >::values2coeffs(), madness::FunctionImpl< T, LDIM >::values2coeffs(), madness::FunctionImpl< T, LDIM >::values2NScoeffs(), madness::gridbase::visualize(), madness::randomgrid< NDIM >::volume(), madness::cartesian_grid< NDIM >::volume_per_gridpoint(), FunctionIO< double, D >::write_function(), write_function(), FunctionIO< double, D >::write_function_coeffs(), and write_function_coeffs().
1.15.0