MADNESS 0.10.1
madness_exception.h File Reference

Defines madness::MadnessException for exception handling. More...

#include <cstdlib>
#include <iosfwd>
#include <exception>
#include <madness/madness_config.h>
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Classes

class  madness::MadnessException
 Base class for exceptions thrown in MADNESS. More...

Namespaces

namespace  madness
 Namespace for all elements and tools of MADNESS.

Macros

#define MADNESS_ASSERT(condition)
 Assert a condition that should be free of side-effects since in release builds this might be a no-op.
#define MADNESS_ASSERT_NOEXCEPT(condition)
 Same as MADNESS_ASSERT , but never throws.
#define MADNESS_CHECK(condition)
 Check a condition — even in a release build the condition is always evaluated so it can have side effects.
#define MADNESS_CHECK(condition)
 Check a condition — even in a release build the condition is always evaluated so it can have side effects.
#define MADNESS_CHECK_THROW(condition, msg)
 Check a condition — even in a release build the condition is always evaluated so it can have side effects.
#define MADNESS_CHECK_THROW(condition, msg)
 Check a condition — even in a release build the condition is always evaluated so it can have side effects.
#define MADNESS_DISPLAY_EXCEPTION_BREAK_MESSAGE   1
 Display the exception break message unless otherwise specified.
#define MADNESS_EXCEPTION(msg, value)
 Macro for throwing a MADNESS exception.

Functions

void madness::exception_break (bool message)
 This function is executed just before a MadnessException is thrown.
std::ostream & madness::operator<< (std::ostream &out, const MadnessException &e)
 Enables easy printing of a MadnessException.

Detailed Description

Defines madness::MadnessException for exception handling.

By default, the MADNESS_ASSERT macro throws a madness::MadnessException. Configure options can specify other behaviors: MADNESS_ASSERT can be

  • THROW: (default) throw a madness::MadnessException.
  • ASSERT: defer to the standard assert function.
  • DISABLE: do nothing (ignore the assertion).
  • ABORT: abort execution.

Macro Definition Documentation

◆ MADNESS_ASSERT

#define MADNESS_ASSERT ( condition)

Assert a condition that should be free of side-effects since in release builds this might be a no-op.

Depending on the configuration, one of the following happens if condition is false:

  • a madness::MadnessException is thrown.
  • assert(condition) is called.
  • execution is aborted.
  • nothing.
    Parameters
    [in]conditionThe condition to be asserted.

Referenced by madness::BandlimitedPropagator::BandlimitedPropagator(), Calculation::Calculation(), madness::DependencyInterface::DependencyInterface(), madness::DependencyInterface::DependencyInterface(), madness::Derivative< double, 1 >::Derivative(), madness::ElectronPairIterator::ElectronPairIterator(), madness::F12Potentials::F12Potentials(), Fcwf::Fcwf(), Fcwf::Fcwf(), Fcwf::Fcwf(), Fcwf::Fcwf(), madness::FunctionImpl< T, LDIM >::FunctionImpl(), madness::guessfactory::GaussFunctor::GaussFunctor(), madness::guessfactory::GaussFunctor::GaussFunctor(), madness::guessfactory::GaussFunctor::GaussFunctor(), madness::FunctionImpl< T, NDIM >::hartree_op< LDIM, leaf_opT >::hartree_op(), madness::Group::Impl::Impl(), SafeMPI::Intracomm::Impl::Impl(), SafeMPI::Intracomm::Intracomm(), madness::KernelRange::KernelRange(), madness::Key< D >::Key(), madness::Key< D >::Key(), MolecularMaskBase::MolecularMaskBase(), madness::NonstandardIndexIterator::NonstandardIndexIterator(), madness::NonstandardIndexIterator::NonstandardIndexIterator(), madness::NonstandardIndexIterator::NonstandardIndexIterator(), madness::NonstandardIndexIterator::NonstandardIndexIterator(), madness::NuclearCuspyBox_op< T, NDIM >::NuclearCuspyBox_op(), madness::Znemo::p_orbital::p_orbital(), madness::PNO::PNO(), madness::PNOPairs::PNOPairs(), 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::KernelRange::Restrictor::Restrictor(), madness::RMI::RmiTask::RmiTask(), madness::NuclearCorrelationFactor::RX_functor::RX_functor(), madness::NuclearCorrelationFactor::RX_functor::RX_functor(), madness::Znemo::s_orbital::s_orbital(), madness::ScalingFunctionFunctor< 1 >::ScalingFunctionFunctor(), madness::SpectralPropagator::SpectralPropagator(), madness::SpectralPropagatorGaussLobatto::SpectralPropagatorGaussLobatto(), madness::SRConf< T >::SRConf(), madness::SRConf< T >::SRConf(), SurfaceMoleculeInteraction::SurfaceMoleculeInteraction(), madness::SystolicMatrixAlgorithm< T >::SystolicMatrixAlgorithm(), madness::SystolicPMOrbitalLocalize::SystolicPMOrbitalLocalize(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), madness::TensorTrain< T >::TensorTrain(), madness::TensorTrain< T >::TensorTrain(), madness::ThreadPool::ThreadPool(), madness::TwoElectronInterface< T, NDIM >::TwoElectronInterface(), madness::Vector< double, 3 >::Vector(), madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::Vphi_ij_u_op_NS(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::Vphi_op_NS(), madness::WignerSeitzPotentialFunctor::WignerSeitzPotentialFunctor(), madness::WorldProfileObj::WorldProfileObj(), madness::xc_kernel_apply::xc_kernel_apply(), madness::BinSorter< T, inserterT >::~BinSorter(), madness::DependencyInterface::~DependencyInterface(), madness::FunctionNode< T, NDIM >::accumulate2(), madness::add(), madness::FunctionImpl< T, NDIM >::add_scalar_inplace(), madness::SRConf< T >::add_SVD(), madness::BoxSurfaceDisplacementRange< NDIM >::Iterator::advance(), madness::Hash_private::HashIterator< const hashT >::advance(), madness::WorldGopInterface::all_reduce(), SafeMPI::Intracomm::Allreduce(), madness::WorldObject< DerivativeBase< T, NDIM > >::am_arg(), madness::WorldTaskQueue::am_arg(), madness::SRConf< T >::append(), madness::AC< NDIM >::apply(), madness::AC< NDIM >::apply(), madness::apply(), madness::apply(), madness::apply(), madness::apply(), madness::FunctionImpl< T, LDIM >::apply(), madness::SeparatedConvolution< double, 3 >::apply(), madness::SeparatedConvolution< double, 3 >::apply2(), madness::SeparatedConvolution< double, 3 >::apply2_lowdim(), madness::FunctionImpl< T, LDIM >::apply_1d_realspace_push(), madness::MP2::apply_exchange(), madness::TDHF::apply_G(), madness::Solver< T, NDIM >::apply_hf_exchange(), madness::ExchangeCommutator::apply_KffK_lowrank_three_range(), madness::CCPotentials::apply_projector(), madness::CCPotentials::apply_Q12t(), madness::CCPotentials::apply_Qt(), madness::CCPotentials::apply_s2b_operation(), madness::FunctionImpl< T, LDIM >::apply_source_driven(), madness::projector_irrep::apply_symmetry_operators(), madness::XCOperator< T, NDIM >::apply_xc_kernel(), madness::FunctionImpl< T, NDIM >::assemble_coefficients(), madness::RMI::assert_aslr_off(), AtomicBasisSet::atoms_to_bfn(), madness::AtomicBasisSet::atoms_to_bfn(), madness::Diamagnetic_potential_factor::bare_diamagnetic_potential(), SafeMPI::Intracomm::Barrier(), madness::TaskThreadEnv::barrier(), AtomicBasisSet::basisfn_to_atom(), madness::AtomicBasisSet::basisfn_to_atom(), SafeMPI::Intracomm::Bcast(), madness::WorldGopInterface::bcast(), madness::WorldGopInterface::bcast(), madness::WorldGopInterface::bcast_internal(), madness::WorldGopInterface::bcast_internal(), madness::RMI::begin(), madness::FunctionImpl< T, LDIM >::binaryXXa(), madness::WorldGopInterface::broadcast_serializable(), madness::canonical_orthonormalization_matrix(), madness::change_tensor_type(), madness::WorldContainer< Key< NDIM >, FunctionNode< T, NDIM > >::check_initialized(), madness::CompositeFunctorInterface< T, NDIM, MDIM >::check_redundant(), madness::Hash_private::bin< keyT, valueT >::clear(), madness::CoeffTracker< T, LDIM >::coeff(), madness::FunctionNode< T, NDIM >::coeff(), madness::detail::compare_fn_addresses(), madness::composite_product(), madness::composite_product(), Fcwf::compress(), madness::FunctionImpl< T, NDIM >::compress_spawn(), madness::PNO::compute_cispd_correction_es(), madness::PNO::compute_cispd_correction_gs(), madness::CCPotentials::compute_cispd_energy(), madness::F12Potentials::compute_fQc_integrals_ij(), madness::F12Potentials::compute_fQg_integral(), madness::KernelRange::Data::compute_iextent_x2(), madness::ExchangeCommutator::compute_lrf_exchange_operator(), madness::Diamagnetic_potential_factor::compute_nabla_R_div_R(), madness::CCPotentials::compute_pair_correlation_energy(), madness::Znemo::compute_potentials(), madness::BoxSurfaceDisplacementRange< NDIM >::compute_probing_displacement(), madness::F12Potentials::compute_projected_f12_energies(), madness::Diamagnetic_potential_factor::compute_R_times_T_commutator_scalar_term_numerically(), madness::SVDTensor< T >::compute_randomized_svd(), madness::RandomizedMatrixDecomposition< T >::compute_range(), madness::Zcis::compute_residuals(), madness::SVDTensor< T >::compute_svd_from_range(), madness::Diamagnetic_potential_factor::compute_U2(), madness::PNO::compute_V_aj_i(), madness::PNO::compute_Vreg_aj_i(), madness::PNO::compute_Vreg_aj_i(), madness::WorldGopInterface::concat0(), madness::SVDTensor< T >::concatenate(), madness::Zcis::concatenate(), madness::GenTensor< T >::convert_inplace(), copy(), SafeMPI::Intracomm::Create(), madness::cross(), madness::Solver< T, NDIM >::csqrt(), madness::cstr_to_memory_size(), madness::Znemo::custom_guess(), madness::SystolicMatrixAlgorithm< T >::cycle(), madness::DependencyInterface::dec(), madness::DependencyInterface::dec_debug(), madness::GenTensor< T >::dim(), madness::SRConf< T >::dim_per_vector(), madness::GenTensor< T >::dims(), madness::FunctionImpl< T, LDIM >::dirac_convolution_op(), madness::displacement(), madness::Hash_private::HashIterator< const hashT >::distance(), madness::Key< D >::distsq_bc(), madness::Key< D >::distsq_bc(), madness::div_deriv(), madness::SVDTensor< T >::divide_and_conquer_reduce(), madness::CoeffTracker< T, LDIM >::dnorm(), madness::FunctionImpl< T, LDIM >::do_apply(), madness::FunctionImpl< T, LDIM >::do_apply_kernel2(), madness::DerivativeBase< T, NDIM >::do_diff1(), EwaldNuclearPotentialFunctor::do_G_sum_v2(), madness::FunctionImpl< T, NDIM >::do_print_grid(), madness::FunctionImpl< T, NDIM >::do_print_plane(), madness::FunctionImpl< T, LDIM >::do_project_out(), madness::GenTensor< T >::emul(), madness::SRConf< T >::emul(), madness::TensorTrain< T >::emul(), madness::F12Parameters::energytype(), madness::DerivativeBase< T, NDIM >::enforce_bc(), madness::iterator< hashT, >::erase(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::erase(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::erase(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::eri_coeffs(), madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::eri_coeffs(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::eri_coeffs(), madness::SeparatedConvolution< double, 3 >::estimate_costs(), AtomicBasis::eval(), madness::Function< double, 3 >::eval(), madness::Function< double, 3 >::eval_cube(), madness::FunctionImpl< T, NDIM >::eval_cube(), AtomicBasis::eval_guess_density(), madness::AtomicBasis::eval_guess_density(), madness::Function< double, 3 >::eval_local_only(), madness::Function< double, 3 >::eval_local_only(), madness::FunctionImpl< T, NDIM >::eval_plot_cube(), madness::Function< double, 3 >::evaldepthpt(), madness::FunctionImpl< Q, NDIM >::evaldepthpt(), madness::Function< double, 3 >::evalR(), madness::WorldGopInterface::fence_impl(), madness::Function< double, 3 >::fill_cuspy_tree(), madness::Function< double, 3 >::fill_cuspy_tree(), madness::Function< double, 3 >::fill_nuclear_cuspy_tree(), madness::Function< double, 3 >::fill_nuclear_cuspy_tree(), madness::Function< double, 3 >::fill_tree(), madness::Function< double, 3 >::fill_tree(), madness::Function< double, 3 >::fill_tree(), filter_moments_inplace(), madness::FunctionImpl< T, NDIM >::find_datum(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::flat_vector(), madness::FunctionImpl< T, LDIM >::forward_traverse(), madness::GenTensor< T >::full_tensor(), madness::gaxpy(), madness::GenTensor< T >::gaxpy(), madness::GenTensor< T >::gaxpy(), madness::SliceLowRankTensor< T >::gaxpy(), madness::TensorTrain< T >::gaxpy(), madness::TensorTrain< T >::gaxpy(), gaxpy1(), madness::FunctionImpl< T, LDIM >::gaxpy_ext_recursive(), madness::Function< double, 3 >::gaxpy_oop(), madness::gaxpy_oop(), madness::gaxpy_oop_reconstructed(), madness::cblas::gemm(), madness::cblas::gemm(), madness::cblas::gemv(), madness::cblas::gemv(), madness::SRConf< T >::general_transform(), madness::detail::DistCache< keyT >::Cache::get(), madness::detail::WorldPtr< T >::get(), madness::FunctionCommonData< T, NDIM >::get(), madness::FutureImpl< T >::get(), madness::FutureImpl< T >::get(), madness::QCCalculationParametersBase::get(), madness::RemoteReference< FutureImpl< T > >::get(), madness::AtomicBasisSet::get_aeps(), AtomicBasisSet::get_atomic_basis_function(), madness::AtomicBasisSet::get_atomic_basis_function(), SafeMPI::Intracomm::Get_attr(), madness::AtomicBasisSet::get_avec(), madness::SRConf< T >::get_configs(), madness::TensorTrain< T >::get_core(), madness::TensorTrain< T >::get_core(), madness::HartreeFock< T, NDIM >::get_coulomb_potential(), madness::Nemo::get_coulomb_potential(), madness::World::get_default(), ContractedGaussianShell::get_desc(), madness::ContractedGaussianShell::get_desc(), madness::FunctionImpl< T, NDIM >::get_functor(), madness::FunctionImpl< T, NDIM >::get_functor(), SafeMPI::Intracomm::Get_group(), SafeMPI::Intracomm::Get_mpi_comm(), Fcwf::get_myc(), Fcwf::get_myc(), madness::FunctionImpl< T, NDIM >::get_norm_tree_recursive(), SafeMPI::Intracomm::Get_rank(), madness::MP2::get_residue(), madness::MacroTaskQ::get_scheduled_task_number_local(), madness::RemoteReference< FutureImpl< T > >::get_shared(), SafeMPI::Intracomm::Get_size(), madness::GenTensor< T >::get_svdtensor(), madness::GenTensor< T >::get_svdtensor(), madness::GenTensor< T >::get_tensor(), madness::GenTensor< T >::get_tensor(), madness::GenTensor< T >::get_tensortrain(), madness::GenTensor< T >::get_tensortrain(), madness::detail::WorldPtr< T >::get_world(), madness::Group::get_world(), madness::WorldObjectBase::get_world(), madness::ggev(), madness::Znemo::gradient(), SafeMPI::Group::group(), madness::PNO::grow_rank(), madness::BasisFunctions::guess_contracted_virtuals_from_file(), madness::BasisFunctions::guess_with_exop(), madness::WorldAmInterface::handler(), madness::Group::id(), madness::KernelRange::iextent_x2(), madness::DependencyInterface::inc(), madness::DependencyInterface::inc_debug(), madness::SeparatedConvolution< double, 3 >::init_lattice_summed(), madness::SeparatedConvolution< double, 3 >::init_range(), madness::SCF::initial_guess_from_nwchem(), madness::detail::WorldMpi::initialize(), madness::F12Potentials::initialize_active_mos(), madness::CC2::initialize_pairs(), Fcwf::inner(), inner(), inner(), madness::Zcis::root::inner, inner_func(), madness::FunctionImpl< T, LDIM >::inner_ij_u_eri(), madness::CCPairFunction< T, NDIM >::inner_internal(), madness::SRConf< T >::inplace_add(), madness::CCIntermediatePotentials::insert(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::insert_acc(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::insert_const_acc(), SafeMPI::Intracomm::Irecv(), madness::BoundaryConditions< NDIM >::is_periodic(), madness::BoundaryConditions< NDIM >::is_periodic_all(), madness::BoundaryConditions< NDIM >::is_periodic_any(), madness::WorldObject< DerivativeBase< T, NDIM > >::is_ready(), SafeMPI::Intracomm::Isend(), SafeMPI::Intracomm::Issend(), iterate(), madness::Zcis::iterate(), madness::CC2::iterate_adc2_pairs(), madness::CC2::iterate_adc2_singles(), madness::CC2::iterate_lrcc2_pairs(), madness::CC2::iterate_lrcc2_singles(), madness::CC2::iterate_pair(), madness::CCPotentials::iterate_pair_macrotask(), madness::PNO::iterate_pairs_internal(), madness::CC2::iterate_singles(), madness::TDHF::iterate_vectors(), Fcwf::KramersPair(), kth_moment_func3d(), madness::ConvolutionND< Q, NDIM >::lattice_summed(), madness::WorldGopInterface::lazy_sync(), madness::archive::ArchiveLoadImpl< Archive, const FunctionImpl< T, NDIM > * >::load(), madness::archive::ArchiveLoadImpl< Archive, FunctionImpl< T, NDIM > * >::load(), madness::archive::ArchiveLoadImpl< Archive, Future< T >, std::enable_if_t<!std::is_void_v< T > > >::load(), madness::archive::ArchiveLoadImpl< Archive, std::array< T, N >, std::enable_if_t< is_serializable_v< Archive, T > > >::load(), madness::archive::ArchiveLoadImpl< Archive, std::vector< Future< T > > >::load(), madness::archive::ArchiveLoadImpl< Archive, World * >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, const WorldObject< Derived > * >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, WorldObject< Derived > * >::load(), madness::archive::BufferInputArchive::load(), madness::FunctionImpl< T, LDIM >::load(), madness::madness::archive::ArchiveLoadImpl< Archive, std::shared_ptr< ScalarResultImpl< T > > >::load(), madness::PNO::load_pnos(), AtomicBasisSet::load_tixml_matrix(), madness::AtomicBasisSet::load_tixml_matrix(), AtomicBasisSet::load_tixml_vector(), madness::AtomicBasisSet::load_tixml_vector(), madness::Group::local_update(), madness::DQueue< T >::lock_and_flush_prebuf(), main(), madness::CCPotentials::make_6D_pair(), madness::guessfactory::make_auto_polynom_strings(), madness::CCPairBuilder::make_bare_pair(), madness::MP2::make_chi(), madness::CoeffTracker< T, LDIM >::make_child(), madness::CCPotentials::make_constant_part_cispd(), madness::CCPotentials::make_constant_part_cispd_Qt(), madness::Displacements< NDIM >::make_disp_periodic(), madness::TensorTrain< T >::make_operator(), madness::CCPotentials::make_pair_ex(), madness::CCPotentials::make_pair_gs(), madness::CCPotentials::make_pair_lrcc2(), madness::TDHF::make_perturbed_fock_matrix(), madness::TDHF::make_potentials(), madness::smooth< T, NDIM >::make_sigma(), madness::CCPotentials::make_t_intermediate(), madness::detail::make_term_impl(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::make_term_ket(), madness::Group::Impl::make_tree(), madness::Group::make_tree(), madness::FunctionImpl< T, LDIM >::make_Vphi(), madness::Function< double, 3 >::map_and_mirror(), madness::Function< double, 3 >::mapdim(), madness::matrix_dot(), madness::matrix_dot_old(), madness::Solver< T, NDIM >::matrix_exponential(), madness::matrix_inner(), madness::matrix_inner(), madness::matrix_inner_old(), madness::RMI::max_msg_len(), madness::RMI::maxq(), madness::smooth< T, NDIM >::merge_functions(), madness::Function< double, 3 >::mirror(), mix(), mix(), madness::Convolution1D< double_complex >::mod_nonstandard(), MPI_Gatherv(), Fcwf::mul_sparse(), Fcwf::mul_sparse(), madness::FunctionImpl< T, LDIM >::multi_to_multi_op_values(), madness::multi_to_multi_op_values(), madness::FunctionImpl< T, LDIM >::multi_to_multi_op_values_doit(), madness::FunctionImpl< T, LDIM >::multiop_values(), madness::FunctionImpl< T, NDIM >::multiply(), madness::multiply(), madness::FunctionImpl< T, LDIM >::mulXXa(), AtomicBasisSet::nbf(), madness::AtomicBasisSet::nbf(), madness::DependencyInterface::ndep(), madness::HartreeFock< T, NDIM >::nemo(), madness::HartreeFock< T, NDIM >::nemos(), madness::World::next_world_id(), madness::QCPropertyInterface::no_cusp_spindensity(), madness::HartreeFock< T, NDIM >::nocc(), Fcwf::norm2(), Fcwf::normalize(), madness::SRConf< T >::normalize(), madness::SRConf< T >::normf(), madness::DependencyInterface::notify(), madness::WorldGopInterface::DelayedSend< keyT, valueT >::notify(), madness::DependencyInterface::notify_debug(), madness::RMI::nrecv(), madness::FunctionImpl< T, LDIM >::NS_fcube_for_mul(), madness::FunctionImpl< T, LDIM >::NScoeffs2values(), madness::Molecule::nuclear_charge_density(), madness::BoundaryConditions< NDIM >::operator()(), madness::BoundaryConditions< NDIM >::operator()(), madness::BoxSurfaceDisplacementValidator< NDIM >::operator()(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::operator()(), madness::CompositeFunctorInterface< T, NDIM, MDIM >::operator()(), madness::detail::MemFuncWrapper< ptrT, memfnT, typename result_of< memfnT >::type >::operator()(), madness::detail::MemFuncWrapper< ptrT, memfnT, void >::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_standard::operator()(), madness::FunctionImpl< T, NDIM >::pointwise_multiplier< LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::operator()(), madness::harmonic_potential_boxed::operator()(), madness::hartree_leaf_op_vec< T, NDIM >::operator()(), madness::insert_op< T, NDIM >::operator()(), madness::NuclearCuspyBox_op< T, NDIM >::operator()(), madness::R_times_arg_div_R::operator()(), madness::ScalingFunctionFunctor< 1 >::operator()(), madness::TwoElectronInterface< T, NDIM >::operator()(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::P2Op::operator()(), madness::xc_functional::operator()(), madness::xc_kernel_apply::operator()(), madness::xc_potential::operator()(), Fcwf::operator*(), Fcwf::operator*(), Fcwf::operator*(), madness::detail::WorldPtr< T >::operator*(), madness::Hash_private::HashIterator< const hashT >::operator*(), madness::IndexIterator::operator*(), madness::operator*(), madness::RemoteReference< FutureImpl< T > >::operator*(), Fcwf::operator+(), madness::PairEnergies::operator+(), madness::ElectronPairIterator::operator++(), madness::WorldContainerIterator< internal_const_iteratorT >::operator++(), madness::WorldContainerIterator< internal_const_iteratorT >::operator++(), Fcwf::operator+=(), madness::Function< double, 3 >::operator+=(), madness::PairEnergies::operator+=(), operator+=(), Fcwf::operator-(), operator-(), Fcwf::operator-=(), madness::Function< double, 3 >::operator-=(), madness::detail::WorldPtr< T >::operator->(), madness::Hash_private::HashIterator< const hashT >::operator->(), madness::RemoteReference< FutureImpl< T > >::operator->(), madness::Future< T > *::operator=(), madness::GenTensor< T >::operator=(), madness::iterator< hashT, >::operator=(), madness::PNOPairs::operator=(), madness::SliceLowRankTensor< T >::operator=(), madness::SliceLowRankTensor< T >::operator=(), madness::SliceLowRankTensor< T >::operator=(), madness::SRConf< T >::operator=(), madness::Vector< double, 3 >::operator=(), madness::Vector< double, 3 >::operator=(), Fcwf::operator[](), Fcwf::operator[](), madness::IndexIterator::operator[](), madness::HartreeFock< T, NDIM >::orbital(), madness::HartreeFock< T, NDIM >::orbital_energy(), madness::HartreeFock< T, NDIM >::orbitals(), madness::ortho3(), madness::orthonormalize_symmetric(), madness::outer(), madness::FunctionImpl< T, NDIM >::parent_to_child_NS(), madness::SeparatedConvolution< double, 3 >::partial_upsample(), madness::PNOParameters::partial_wave(), madness::FunctionImpl< T, NDIM >::phi_for_mul(), madness::FunctionImpl< Q, NDIM >::plot_cube_kernel(), madness::plot_plane(), madness::plot_plane(), madness::plot_plane(), madness::plotdx(), madness::plotpovray(), plotvtk(), madness::plotvtk_begin(), madness::plotvtk_data(), madness::plotvtk_data(), madness::plotvtk_end(), madness::pop(), madness::Stack< CallbackInterface *, MAXCALLBACKS >::pop(), madness::Leaf_op_other< T, NDIM >::pre_screening(), madness::Localizer::prepare_new_basis(), madness::BoxSurfaceDisplacementRange< NDIM >::probing_displacement(), madness::FunctionImpl< T, NDIM >::project(), madness::CCPairFunction< T, NDIM >::project_out(), madness::DQueue< T >::push_back(), madness::DQueue< T >::push_front(), madness::HartreeFock< T, NDIM >::R2orbital(), madness::HartreeFock< T, NDIM >::R2orbitals(), madness::OperatorInfo::range_as_array(), madness::Group::rank(), madness::Group::rank(), madness::LowRankFunction< T, NDIM, LDIM >::rank(), madness::rank_revealing_decompose(), Plotter::read(), Plotter::read_cell(), madness::BasisFunctions::read_contracted_basis_from_file(), AtomicBasisSet::read_file(), madness::AtomicBasisSet::read_file(), MolecularEntity::read_file(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::InitParameters::readnw(), madness::Key< D >::real_distsq_bc(), madness::PNOPairs::reassemble(), madness::FunctionDefaults< 1 >::recompute_cell_info(), madness::SVDTensor< T >::recompute_from_range(), Fcwf::reconstruct(), madness::LowRankFunction< T, NDIM, LDIM >::reconstruct(), madness::TensorTrain< T >::reconstruct(), madness::FunctionImpl< T, NDIM >::reconstruct_op(), madness::FunctionImpl< T, LDIM >::recursive_apply(), SafeMPI::Intracomm::Recv(), SafeMPI::Intracomm::Recv(), SafeMPI::Intracomm::Reduce(), madness::projector_irrep::reduce(), madness::WorldGopInterface::reduce(), madness::WorldGopInterface::reduce(), madness::WorldGopInterface::reduce(), madness::WorldGopInterface::reduce_result_task(), madness::FunctionImpl< T, NDIM >::refine_to_common_level(), madness::DependencyInterface::register_callback(), madness::Future< T > *::register_callback(), madness::DependencyInterface::register_final_callback(), madness::World::register_ptr(), madness::WorldObjectBase::register_self(), madness::Future< T > *::remote_ref(), madness::WorldTaskQueue::remote_task_handler(), madness::Group::remote_update(), madness::Displacements< NDIM >::reset_periodic_axes(), madness::projector_irrep::resort(), madness::projector_irrep::reverse_resort(), madness::GaussianConvolution1D< Q >::rnlp(), madness::rot(), madness::TaskInterface::run(), madness::DQueue< T >::sanity_check(), Fcwf::scale(), madness::FunctionImpl< T, NDIM >::multiply_op< LDIM >::screen(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::sd_norm_pair_sum(), madness::SDFParaboloid::sdf(), SafeMPI::Intracomm::Send(), madness::WorldAmInterface::send(), G1::serialize(), madness::Group::serialize(), madness::SRConf< T >::serialize(), madness::WorldContainer< Key< NDIM >, FunctionNode< T, NDIM > >::serialize(), madness::WorldContainer< Key< NDIM >, FunctionNode< T, NDIM > >::serialize(), madness::Future< T > *::set(), madness::FutureImpl< T >::set(), madness::Molecule::set_all_coords(), madness::FutureImpl< T >::set_assigned(), madness::detail::DistCache< keyT >::set_cache_value(), madness::FunctionNode< T, NDIM >::set_coeff(), madness::MacroTaskQ::set_complete_local(), madness::AmArg::set_func(), madness::FunctionDefaults< 1 >::set_initial_level(), madness::FunctionDefaults< 1 >::set_k(), madness::WorldGopInterface::set_max_reducebcast_msg_size(), madness::FunctionDefaults< 1 >::set_max_refine_level(), madness::TaskAttributes::set_nthread(), madness::Solver< T, NDIM >::set_occs2(), madness::LatticeRange::set_range(), madness::FunctionDefaults< 1 >::set_special_level(), madness::FunctionDefaults< 1 >::set_truncate_mode(), madness::Displacements< NDIM >::set_width(), madness::World::shared_ptr_from_id(), madness::AtomicBasisSet::shells_to_bfn(), madness::KernelRange::Restrictor::sigma(), madness::KernelRange::Restrictor::sigma_inverse(), Fcwf::size(), Fcwf::size(), madness::BoxSurfaceDisplacementRange< NDIM >::skip_face(), madness::smooth< T, NDIM >::smooth_sigma(), solve(), madness::CC2::solve_cc2(), madness::CC2::solve_cispd(), madness::PNO::solve_cispd(), madness::WorldObject< DerivativeBase< T, NDIM > >::spawn_remote_task_handler(), madness::QCPropertyInterface::spindensity(), SafeMPI::Intracomm::Split(), madness::Zcis::split(), madness::Zcis::split(), SafeMPI::Intracomm::Split_type(), madness::TensorTrain< T >::splitdim(), squaremod(), squaremod_large(), squaremod_small(), madness::archive::ArchiveStoreImpl< Archive, Future< T >, std::enable_if_t<!std::is_void_v< T > > >::store(), madness::archive::ArchiveStoreImpl< Archive, std::vector< Future< T > > >::store(), madness::archive::BufferOutputArchive::store(), madness::sub(), madness::symmetrize(), madness::TDHF::symmetrize(), madness::PNO::t_solve(), madness::Function< double, 3 >::TENSOR_RESULT_TYPE(), madness::GenTensor< T >::TENSOR_RESULT_TYPE(), madness::TENSOR_RESULT_TYPE(), madness::guessfactory::tensor_to_coord(), test_coverage(), test_G_R_vectors(), test_gconv(), test_time(), SafeMPI::Request::Testany(), SafeMPI::Request::Testany(), SafeMPI::Request::Testsome(), madness::Key< D >::thisKeyContains(), madness::thread_purge(), madness::Stack< CallbackInterface *, MAXCALLBACKS >::top(), madness::Stack< CallbackInterface *, MAXCALLBACKS >::top(), madness::SRConf< T >::trace(), madness::TensorTrain< T >::trace(), madness::SRConf< T >::transform(), madness::TDHF::transform(), madness::transform(), madness::transform(), transform(), transform(), madness::SRConf< T >::transform_dir(), madness::transform_dir(), SafeMPI::Group::Translate_ranks(), madness::FunctionImpl< T, LDIM >::traverse_tree(), Fcwf::truncate(), madness::FunctionImpl< T, NDIM >::truncate_reconstructed_op(), madness::TensorTrain< T >::two_mode_representation(), madness::PseudoNuclearCorrelationFactor::U2(), madness::Function< double, 3 >::unary_op_coeffs(), SafeMPI::Intracomm::unique_reserved_tag(), SafeMPI::Intracomm::unique_tag(), madness::Group::unregister_group(), madness::World::unregister_ptr(), madness::CC2::update_constant_part_adc2(), madness::CC2::update_constant_part_cispd(), madness::PNO::update_pno(), madness::FunctionImpl< T, LDIM >::values2NScoeffs(), madness::Function< double, 3 >::verify(), madness::TwoBodyFunctionSeparatedComponent< T, NDIM >::world(), madness::Group::Impl::world_rank(), madness::Group::world_rank(), and xc_rks_generic_lda().

◆ MADNESS_ASSERT_NOEXCEPT

#define MADNESS_ASSERT_NOEXCEPT ( condition)

Same as MADNESS_ASSERT , but never throws.

Behaves like MADNESS_ASSERT, except when the latter throws madness::MadnessException this aborts

Parameters
[in]conditionThe condition to be asserted.

Referenced by madness::WorldObject< DerivativeBase< T, NDIM > >::~WorldObject(), madness::WorldObjectBase::~WorldObjectBase(), and madness::WorldObjectBase::get_world_noexcept().

◆ MADNESS_CHECK [1/2]

#define MADNESS_CHECK ( condition)
Value:
do { \
if (!(condition)) { \
madness::exception_break(MADNESS_DISPLAY_EXCEPTION_BREAK_MESSAGE); \
throw madness::MadnessException("MADNESS CHECK FAILED: " , \
(#condition),0,__LINE__,__FUNCTION__,__FILE__); \
} \
} while (0)
Base class for exceptions thrown in MADNESS.
Definition madness_exception.h:66
#define MADNESS_DISPLAY_EXCEPTION_BREAK_MESSAGE
Display the exception break message unless otherwise specified.
Definition madness_exception.h:58

Check a condition — even in a release build the condition is always evaluated so it can have side effects.

Depending on the configuration, one of the following happens if condition is false:

◆ MADNESS_CHECK [2/2]

#define MADNESS_CHECK ( condition)

Check a condition — even in a release build the condition is always evaluated so it can have side effects.

Depending on the configuration, one of the following happens if condition is false:

Referenced by madness::Batch_1D::Batch_1D(), madness::Molecule::Molecule(), madness::Nuclear< T, NDIM >::Nuclear(), Omega::Omega(), stepfunction::stepfunction(), madness::ThreadBinder::ThreadBinder(), Xi::Xi(), madness::apply(), madness::CCPairFunction< T, NDIM >::apply(), madness::projector_irrep::apply_symmetry_operators(), madness::assign_cost_aware(), madness::assign_round_robin(), madness::FunctionImpl< T, NDIM >::broaden(), check(), madness::SeparatedConvolution< double, 3 >::check_cubic(), madness::archive::BaseParallelArchive< localarchiveT >::close(), madness::SeparatedConvolution< double, 3 >::combine(), madness::SeparatedConvolution< double, 3 >::combine_generic_coeffs(), madness::SeparatedConvolution< double, 3 >::combine_OT(), madness::particle< PDIM >::complement(), madness::FunctionImpl< T, NDIM >::compress_op(), ExactSpinor::compute_C(), madness::Localizer::compute_core_valence_separation_transformation_matrix(), ExactSpinor::compute_energy(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::MacroTaskPartitionerExchange::compute_priority(), madness::concatenate_columns(), madness::concatenate_rows(), madness::DistributedMatrix< T >::concatenate_rows, madness::Batch_1D::copy_batch(), madness::Batch::copy_input_batch(), madness::DistributedMatrix< double >::copy_to_replicated(), madness::DistributedMatrix< double >::copy_to_replicated_patch(), FunctionIOData< T, NDIM >::create_function(), madness::Localizer::determine_frozen_orbitals(), madness::Cloud::do_load(), madness::dot(), madness::dot_sparse(), madness::CC2::enforce_core_valence_separation(), madness::MP2::enforce_core_valence_separation(), madness::TDHF::enforce_core_valence_separation(), madness::AtomicBasis::eval(), madness::archive::BaseParallelArchive< localarchiveT >::exists(), madness::DistributedMatrix< double >::extract_columns(), madness::GFit< T, NDIM >::f12sq_fit(), madness::GFit< T, NDIM >::F2GFit(), madness::fast_transform(), madness::WorldGopInterface::fence_impl(), madness::GFit< T, NDIM >::FGFit(), madness::BatchTransport::finish_recv(), fock_trace(), madness::general_fast_transform(), madness::general_fast_transform(), madness::DistributedMatrix< double >::get(), madness::Future< T > *::get(), madness::Future< T > *::get(), madness::Future< T > *::get(), madness::CCPairFunction< T, NDIM >::get_a(), madness::CCPairFunction< T, NDIM >::get_b(), madness::Displacements< NDIM >::get_disp(), madness::Displacements< NDIM >::get_disp_images(), madness::CCPairFunction< T, NDIM >::get_function(), madness::CCPairFunction< T, NDIM >::get_function(), madness::LowRankFunction< T, NDIM, LDIM >::get_functions(), madness::CCPairFunction< T, NDIM >::get_operator(), madness::CCPairFunction< T, NDIM >::get_operator_ptr(), madness::MolecularOrbitals< T, NDIM >::get_subset(), madness::CCPairFunction< T, NDIM >::get_vector(), madness::TwoBodyFunctionSeparatedComponent< T, NDIM >::get_vector(), madness::archive::BaseParallelArchive< localarchiveT >::get_world(), madness::gradient_operator(), madness::FunctionImpl< T, LDIM >::hartree_product(), madness::Fock< T, NDIM >::info(), initial_guess(), madness::inner(), madness::inner(), madness::innerXX(), madness::DistributedMatrix< T >::interleave_rows, madness::archive::BaseParallelArchive< localarchiveT >::is_io_node(), jacobi(), madness::jacobi(), TestSystolicMatrixAlgorithm< T >::kernel(), madness::archive::ArchiveLoadImpl< ParallelInputArchive< localarchiveT >, WorldContainer< keyT, valueT > >::load(), madness::archive::ContainerRecordInputArchive::load(), madness::Function< double, 3 >::load(), madness::archive::BaseParallelArchive< localarchiveT >::local_archive(), madness::Localizer::localize(), madness::Localizer::localize_new(), main(), madness::SeparatedConvolution< double, 3 >::make_coeff_for_operator(), madness::Nemo::make_fock_operator(), madness::OEP::make_fock_operator(), madness::FunctionImpl< T, NDIM >::make_redundant_op(), make_sp(), madness::Localizer::matrix_exponential(), matrix_exponential(), madness::mTxmq(), madness::mTxmq(), madness::mTxmq(), madness::mTxmq(), madness::mTxmq(), madness::mTxmq_reference(), madness::CCPairFunction< T, NDIM >::multiply, madness::FunctionImpl< T, LDIM >::mulXXveca(), madness::archive::BaseParallelArchive< localarchiveT >::my_io_node(), madness::archive::BaseParallelArchive< localarchiveT >::num_io_clients(), madness::BatchTransport::on_reply(), madness::archive::BaseParallelArchive< localarchiveT >::open(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::operator()(), madness::Fock< T, NDIM >::operator()(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::operator()(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::operator()(), madness::MP3::MacroTaskMP3::operator()(), PWFunctor::operator()(), madness::DistributedMatrix< double >::operator+(), madness::operator+(), madness::DistributedMatrix< double >::operator+=(), madness::operator+=(), madness::operator-(), madness::operator-=(), madness::Molecule::orient(), madness::FunctionImpl< T, LDIM >::partial_inner_contract(), madness::plan_restart(), ExactSpinor::print(), Node::random_insert(), madness::TwoBodyFunctionSeparatedComponent< T, NDIM >::rank(), madness::InitParameters::read(), madness::Derivative< double, 1 >::read_from_file(), FunctionIO< double, D >::read_function(), read_function(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::FunctionImpl< T, LDIM >::read_grid2(), madness::read_twoscale(), madness::Molecule::read_xyz(), madness::InitParameters::readnw(), madness::FunctionImpl< T, LDIM >::recur_down_for_contraction_map(), madness::redistribute_to_batches(), madness::FunctionImpl< T, LDIM >::refine_op(), madness::FunctionImpl< T, NDIM >::refine_to_common_level(), madness::archive::BaseParallelArchive< localarchiveT >::remove(), madness::archive::BaseParallelArchive< localarchiveT >::remove(), madness::Cloud::replicate(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::replicate(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::replicate_on_hosts(), madness::CCPairFunction< T, NDIM >::reset_operator(), madness::HartreeFock< T, NDIM >::reset_orbitals(), Task::run(), run_overlap(), madness::DistributedMatrix< double >::set(), madness::Future< T > *::set(), madness::Future< T > *::set(), madness::Future< T > *::set(), madness::Exchange< T, NDIM >::set_bra_and_ket(), madness::PCMParameters::set_derived_values(), madness::set_impl(), madness::GFit< T, NDIM >::slater_fit(), madness::CC2::solve(), madness::stage_halo(), madness::startup(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< VectorOutputArchive >, WorldContainer< keyT, valueT > >::store(), madness::archive::ContainerRecordOutputArchive::store(), madness::Molecule::symmetrize_for_op(), test0(), test1(), test10(), test12(), test13(), test14(), test15(), test5(), test6(), test6a(), test7(), test8(), test9(), test_add(), test_assignment_factories(), test_batch(), test_batch_1D(), test_coalesced_redistribute(), test_constructor(), test_conversion(), test_cross(), test_dot(), test_florian(), test_inner(), test_matrix_mul_sparse(), test_meta_gga(), test_meta_gga_dedtau_polarized(), test_meta_gga_one_orbital_energy(), test_multi_to_multi_op(), test_orthonormalize_canonical(), test_orthonormalize_symmetric(), test_partial_inner(), test_redistribute_to_batches(), test_remove_lindep(), test_tight_diffuse(), test_transform(), test_vector_composite(), test_XCOperator(), test_XCOperator_matrix(), madness::CCPairFunction< T, NDIM >::to_pure(), madness::transform(), madness::transform_reconstructed(), madness::FunctionImpl< T, NDIM >::truncate_reconstructed_op(), madness::Localizer::undo_degenerate_rotations(), madness::MP2::value(), madness::Nemo::value(), madness::randomgrid< NDIM >::volume(), walker1(), walker2(), and madness::CCPairFunction< T, NDIM >::world().

◆ MADNESS_CHECK_THROW [1/2]

#define MADNESS_CHECK_THROW ( condition,
msg )
Value:
do { \
if (!(condition)) { \
throw madness::MadnessException(msg, (#condition),0,__LINE__,__FUNCTION__,__FILE__); \
} \
} while (0)

Check a condition — even in a release build the condition is always evaluated so it can have side effects.

will always throw a madness::MadnessException, but will not print to stderr

Parameters
[in]conditionThe condition to be checked.
[in]msgThe message to be printed

◆ MADNESS_CHECK_THROW [2/2]

#define MADNESS_CHECK_THROW ( condition,
msg )

Check a condition — even in a release build the condition is always evaluated so it can have side effects.

will always throw a madness::MadnessException, but will not print to stderr

Parameters
[in]conditionThe condition to be checked.
[in]msgThe message to be printed

Referenced by madness::CompositeFunctorInterface< T, NDIM, MDIM >::CompositeFunctorInterface(), DF::DF(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::ExchangeImpl(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::ExchangeImpl(), madness::GFit< T, NDIM >::GFit(), madness::LBDeuxPmap< NDIM >::LBDeuxPmap(), madness::LowRankFunction< T, NDIM, LDIM >::LowRankFunction(), madness::LRFunctorF12< T, NDIM, LDIM >::LRFunctorF12(), madness::MacroTaskQ::MacroTaskQ(), madness::nemo_u1_functors::nemo_u1_functors(), madness::OEP::OEP(), madness::Projector< T, NDIM >::Projector(), madness::Projector< T, NDIM >::Projector(), madness::Projector< T, NDIM >::Projector(), madness::SCFProtocol::SCFProtocol(), madness::FinalizeReducer< T, NDIM >::accumulate_chunk(), madness::nemo_u1_functors::append(), madness::apply(), madness::apply(), madness::CCPairFunction< T, NDIM >::apply(), madness::SCF::apply_bsh_macrotask(), madness::CCPotentials::apply_commutator_F_dQt_f12(), madness::CCPotentials::apply_commutator_F_Qt_f12(), madness::SCF::apply_explicit_occupations(), madness::CCPotentials::apply_f12_coupling(), madness::CCPotentials::apply_KffK(), madness::ExchangeCommutator::apply_KffK_lowrank_split_alpha(), madness::ExchangeCommutator::apply_KffK_lowrank_three_range(), madness::XCOperator< T, NDIM >::apply_tau_term(), madness::CCPotentials::apply_Ue(), madness::population::atomic_populations(), madness::Displacements< NDIM >::bmax_axes(), madness::DiagnosticMatrix< T, NDIM >::build_Gab_bra(), madness::Function< double, 3 >::change_tree_state(), madness::CCPairFunction< T, NDIM >::collect_same_types(), madness::SeparatedConvolution< double, 3 >::combine(), madness::CCPairBuilder::complete_pair_with_low_rank_parts(), madness::composite_inner(), madness::composite_inner(), madness::composite_inner_apply(), madness::FunctionImpl< T, NDIM >::compress(), madness::FunctionImpl< T, NDIM >::compress_op(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::compute_diagonal_batch_in_symmetric_matrix(), madness::Nemo::compute_energy_regularized(), madness::CCPotentials::compute_excited_pair_energy(), madness::CC2::compute_local_coupling(), madness::MP3::compute_mp3_ef_with_permutational_symmetry(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::compute_offdiagonal_batch_in_symmetric_matrix(), madness::Cloud::deserialize_batch_p2p(), madness::ExchangeCommutator::diagnose_GKffK(), madness::ExchangeCommutator::diagnose_GQKffK(), madness::ExchangeCommutator::diagnose_KffK(), madness::Function< double, 3 >::dirac_convolution(), madness::Key< D >::distsq_images_impl(), madness::FunctionImpl< T, LDIM >::do_apply_directed_screening(), madness::TensorTrain< T >::emul(), madness::DerivativeBase< T, NDIM >::find_neighbor(), madness::MacroTaskInfo::from_vector_of_strings(), madness::CCPair::function(), madness::Function< double, 3 >::gaxpy(), madness::gaxpy(), madness::FunctionImpl< T, NDIM >::gaxpy_oop_reconstructed(), madness::molecular_grid< NDIM >::get_grid(), madness::SCF::get_initial_orbitals(), GridBuilder::get_points(), GridBuilder::get_weights(), madness::FunctionImpl< T, LDIM >::hartree_product(), madness::hartree_product(), madness::population::iao_population(), madness::SeparatedConvolution< double, 3 >::init_lattice_summed(), madness::SCF::initial_guess(), madness::SCF::initial_guess_ao_eigenvectors(), madness::SCF::initial_guess_from_nwchem(), madness::SeparatedConvolution< double, 3 >::initialize_images_only(), madness::CC2::initialize_singles(), madness::FunctionImpl< T, LDIM >::inner_ij_u_eri(), madness::LowRankFunction< T, NDIM, LDIM >::l2error_pythagoras(), madness::Function< double, 3 >::load(), madness::LoadBalanceDeux< NDIM >::load_balance(), madness::archive::ContainerRecordInputArchive::load_chunks(), madness::MolecularOrbitals< T, NDIM >::load_mos(), madness::archive::ContainerRecordInputArchive::load_raw(), madness::Localizer::localize_cholesky(), main(), madness::CCPotentials::make_constant_part_macrotask(), madness::Nemo::make_fock_operator(), madness::CCPairBuilder::make_pair(), madness::FunctionImpl< T, LDIM >::make_Vphi(), madness::FunctionImpl< T, LDIM >::make_Vphi_ij_u(), madness::population::matrix_power(), madness::mul_sparse(), madness::name(), madness::Function< double, 3 >::norm2(), madness::LRFunctorF12< T, NDIM, LDIM >::norm2(), madness::Function< double, 3 >::norm2sq_local(), madness::FunctionImpl< T, NDIM >::norm2sq_local(), madness::SeparatedConvolution< double, 3 >::norm_bound(), madness::CCIntermediatePotentials::operator()(), madness::DerivativeBase< T, NDIM >::operator()(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::operator()(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::operator()(), madness::MacroTaskIteratePair::operator()(), madness::MacroTaskSinglesPotentialGs::operator()(), madness::Projector< T, NDIM >::operator()(), madness::XCOperator< T, NDIM >::operator()(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::owner_hint(), madness::SCF::pad_virtuals_from_guess(), madness::Displacements< NDIM >::periodic(), madness::plan_restart(), madness::plotdx(), madness::Molecule::position_stream_in_library(), madness::TDHF::prepare_calculation(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::prepare_owner_assignment(), madness::print_pair_energy_report(), madness::print_pair_energy_report_RI(), madness::print_pair_energy_table_RI(), madness::FunctionImpl< Q, NDIM >::print_tree_json(), madness::LowRankFunctionFactory< T, NDIM, LDIM >::project(), madness::Function< double, 3 >::project_out(), madness::population::projection_population(), madness::RestartMetadata::read(), madness::Znemo::read_real_guess(), madness::detail::reconstruct_for_norm(), madness::DiagnosticMatrix< T, NDIM >::ref_GQab(), madness::Cloud::replicate(), madness::Cloud::replicate_per_node(), madness::require_supported_df_restart(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::row(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::row_fetch_compute(), madness::population::PopulationAnalysis::run(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::set_accumulation_mode(), madness::BatchTransport::set_batch_chunk_bytes(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::set_batch_granularity(), madness::CalculationParameters::set_derived_values(), madness::ProjectorBase::set_particle(), madness::Projector< T, NDIM >::set_spaces(), madness::StrongOrthogonalityProjector< T, NDIM >::set_spaces(), madness::SCFProtocol::set_start_index(), madness::XCOperator< T, NDIM >::set_tau(), madness::Nemo::solve(), madness::CC2::solve_mp2_coupled(), madness::SCF::solve_virtuals(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::store_batches(), madness::Function< double, 3 >::sum_down(), test_conversion(), test_replication_policy(), madness::Function< double, 3 >::trace(), madness::Function< double, 3 >::trace_local(), madness::FunctionImpl< T, NDIM >::trace_local(), madness::transform_reconstructed(), madness::FunctionFactory< double, 3 >::treestate(), madness::XNonlinearSolver< std::vector< Function< double, 3 > >, double, vector_function_allocator< double, 3 > >::update(), madness::CCPair::update_u(), madness::validate_distribution_type(), madness::commandlineparser::value(), madness::MolecularEnergy::value(), madness::OEP::value(), madness::commandlineparser::value_raw(), madness::FunctionImpl< T, NDIM >::verify_tree(), madness::XCOperator< T, NDIM >::weak_xc_terms(), madness::CCPair::world(), and madness::LowRankFunction< T, NDIM, LDIM >::world().

◆ MADNESS_DISPLAY_EXCEPTION_BREAK_MESSAGE

#define MADNESS_DISPLAY_EXCEPTION_BREAK_MESSAGE   1

Display the exception break message unless otherwise specified.

Referenced by madness::check_thread_binding().

◆ MADNESS_EXCEPTION

#define MADNESS_EXCEPTION ( msg,
value )
Value:
{ \
madness::exception_break(MADNESS_DISPLAY_EXCEPTION_BREAK_MESSAGE); \
throw madness::MadnessException(msg,0,value,__LINE__,__FUNCTION__,__FILE__); \
}

Macro for throwing a MADNESS exception.

Exceptions
Amadness::MadnessException.
Parameters
[in]msgThe error message.
[in]valueThe value associated with the exception.

Referenced by madness::Atom::Atom(), madness::Atom::Atom(), DF::DF(), madness::DispersionCorrection::DispersionCorrection(), madness::Fock< double, 3 >::Fock(), madness::Fock< double, 3 >::Fock(), madness::Fock< double, 3 >::Fock(), madness::GenTensor< T >::GenTensor(), madness::GenTensor< T >::GenTensor(), madness::GFit< T, NDIM >::GFit(), GridBuilder::GridBuilder(), madness::MP3::MacroTaskMP3::MacroTaskMP3(), madness::Mutex::Mutex(), madness::NuclearCuspyBox_op< T, NDIM >::NuclearCuspyBox_op(), madness::NuclearCuspyBox_op< T, NDIM >::NuclearCuspyBox_op(), ParserHandler< T, NDIM >::ParserHandler(), madness::MP3::MacroTaskMP3::Partitioner::Partitioner(), madness::PCM::PCM(), madness::poly4erfc::poly4erfc(), madness::RecursiveMutex::RecursiveMutex(), madness::RMI::RmiTask::RmiTask(), spherical_harmonic::spherical_harmonic(), madness::detail::thread_specific< Item >::thread_specific(), madness::ThreadPool::ThreadPool(), madness::FunctionCommonData< double, NDIM >::_init_quadrature(), madness::ThreadPool::add(), madness::ThreadPool::add(), madness::BSHApply< T, NDIM >::add_coupling_and_levelshift(), madness::MP2::add_local_coupling(), madness::GenTensor< T >::add_SVD(), ExactSpinor::angular(), madness::SRConf< T >::append(), madness::AC< NDIM >::apply(), madness::apply(), madness::CCPairFunction< T, NDIM >::apply(), madness::TwoBodyFunctionSeparatedComponent< T, NDIM >::apply(), madness::CCPotentials::apply_KffK(), madness::Solver< T, NDIM >::apply_potential(), madness::F12Potentials::apply_regularized_potential(), madness::CCPotentials::apply_s2b_operation(), madness::projector_irrep::apply_symmetry_operators(), madness::XCOperator< T, NDIM >::apply_xc_kernel(), madness::assemble_nemo_ddens(), madness::assemble_nemo_tau(), madness::RMI::assert_aslr_off(), madness::assign_calctype(), madness::assign_name(), madness::assign_name(), madness::assign_name(), madness::assign_name(), madness::CCPairFunction< T, NDIM >::assign_particles(), madness::guessfactory::PolynomialFunctor::axis_to_string(), AtomicBasisSet::basisfn_to_atom(), madness::AtomicBasisSet::basisfn_to_atom(), madness::Key< D >::break_apart(), madness::PthreadConditionVariable::broadcast(), madness::BSHOperator(), madness::BSHOperatorPtr(), madness::SRConf< T >::c0(), madness::CCParameters::calc_type(), madness::MemoryMeasurer::cast_to_funcimpl_ptr(), madness::CCPairBuilder::cc_state(), madness::ACParameters< NDIM >::check(), madness::TDHF::check_consistency(), madness::MP2::Parameters::check_input(), madness::archive::TextFstreamInputArchive::check_start_tag(), madness::FunctionFunctorInterface< double, 3 >::coeff(), madness::SeparatedConvolution< double, 3 >::combine, madness::Leaf_op_other< T, NDIM >::compare_to_parent(), madness::CCPairBuilder::complete_pair_with_low_rank_parts(), madness::F12Potentials::compute_cispd_f12_energies(), madness::Znemo::compute_energy(), madness::F12Potentials::compute_f12_energies(), madness::F12Potentials::compute_f12_energies(), madness::KernelRange::Data::compute_iextent_x2(), madness::CC2::compute_local_coupling(), madness::Localizer::compute_localization_matrix(), madness::PCM::compute_pcm_energy(), madness::PCM::compute_pcm_potential(), madness::guessfactory::PolynomialFunctor::compute_value(), madness::guessfactory::PolynomialTrigonometricsFunctor::compute_value(), madness::XCOperator< T, NDIM >::compute_xc_energy(), madness::GenTensor< T >::config(), madness::convert(), madness::GenTensor< T >::convert_inplace(), madness::CCPairFunction< T, NDIM >::convert_to_pure_no_op_inplace(), madness::create_nuclear_correlation_factor(), madness::Solver< T, NDIM >::csqrt(), madness::CCPairFunction< T, NDIM >::decomposed(), madness::ThreadPool::default_nthread(), madness::QCPropertyInterface::density(), madness::Localizer::determine_frozen_orbitals(), madness::df_convergence_criterion_name(), madness::df_iteration_converged(), madness::df_stop_message(), madness::CCPairFunction< T, NDIM >::dirac_convolution(), madness::MacroTaskPartitioner::do_1d_partition(), madness::FunctionImpl< T, LDIM >::do_apply_directed_screening(), madness::RandomizedMatrixDecomposition< T >::do_compute_range(), madness::Cloud::do_load(), madness::FunctionImpl< T, NDIM >::do_print_grid(), madness::FunctionImpl< T, NDIM >::do_print_tree_json(), Plotter::doplot(), Plotter::doplot1(), Plotter::dovolumeplot(), madness::archive::TextFstreamInputArchive::eat_eol(), madness::GenTensor< T >::emul(), madness::DerivativeBase< T, NDIM >::enforce_bc(), madness::Barrier::enter(), madness::BSHApply< T, NDIM >::eps_in_green(), madness::iterator< hashT, >::erase(), madness::CCConvolutionOperator< T, NDIM >::error(), madness::CCParameters::error(), madness::Function< double, 3 >::errsq_local(), madness::Function< double, 3 >::eval(), madness::Function< double, 3 >::eval_local_only(), madness::Function< double, 3 >::eval_local_only(), madness::Function< double, 3 >::evaldepthpt(), madness::Function< double, 3 >::evalR(), madness::DispersionCorrection::evaluate(), f6d(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), filter_moments_inplace(), madness::WorldProfile::find(), madness::Solver< T, NDIM >::find_kpt_from_orb(), madness::SCFResults::from_json(), madness::from_string(), madness::MacroTaskInfo::from_vector_of_strings(), madness::GenTensor< T >::full_tensor_copy(), ExactSpinor::Fvalue(), madness::XCfunctional::fxc_apply(), madness::Function< double, 3 >::gaxpy(), madness::GenTensor< T >::gaxpy(), madness::GenTensor< T >::gaxpy(), madness::TensorTrain< T >::gaxpy(), madness::TensorTrain< T >::gaxpy(), madness::GFit< T, NDIM >::GeneralFit(), generalized_laguerre(), AtomicBasisSet::get_atomic_basis_function(), madness::AtomicBasisSet::get_atomic_basis_function(), madness::FunctionDefaults< 1 >::get_bc(), madness::TDHF::get_calc(), madness::TDHF::get_calcparam(), madness::get_charge_from_file(), madness::GenTensor< T >::get_configs(), madness::World::get_default(), madness::WorldContainer< Key< NDIM >, FunctionNode< T, NDIM > >::get_distribution_type(), madness::WorldProfile::get_entry(), madness::molecular_grid< NDIM >::get_grid(), madness::SCF::get_initial_orbitals(), madness::Znemo::get_initial_orbitals(), madness::TDHF::get_nemo(), get_nthread(), madness::CCPairFunction< T, NDIM >::get_operator(), madness::CCPairFunction< T, NDIM >::get_operator_ptr(), madness::TDHF::get_orbital_energy(), madness::MacroTask< taskT >::MacroTaskInternal::get_output(), madness::CCIntermediatePotentials::get_potential(), AtomicBasis::get_shell_from_basis_function(), madness::AtomicBasis::get_shell_from_basis_function(), madness::Molecule::get_structure(), madness::GenTensor< T >::get_svdtensor(), madness::GenTensor< T >::get_svdtensor(), madness::projector_irrep::get_table(), madness::TDHF::get_tda_potential(), madness::GenTensor< T >::get_tensor(), madness::GenTensor< T >::get_tensor(), madness::GenTensor< T >::get_tensortrain(), madness::GenTensor< T >::get_tensortrain(), madness::TwoBodyFunctionSeparatedComponent< T, NDIM >::get_vector(), madness::Projector< T, NDIM >::get_vectors_for_outer_product(), madness::SDFBox::grad_sdf(), madness::SDFCone::grad_sdf(), madness::SDFCylinder::grad_sdf(), madness::SDFEllipsoid::grad_sdf(), madness::SDFParaboloid::grad_sdf(), madness::SDFPlane::grad_sdf(), madness::SDFRectangle::grad_sdf(), madness::DQueue< T >::grow(), madness::PNO::guess_virtuals(), madness::BasisFunctions::guess_virtuals_internal(), madness::BasisFunctions::guess_with_psi4(), madness::RMI::RmiTask::huge_msg_handler(), madness::ThreadBase::init_thread_key(), madness::Solver< T, NDIM >::initial_guess(), madness::TDHF::initialize(), madness::World::initialize, FunctionIOData< T, NDIM >::initialize_func_coeffs(), madness::CCPairFunction< T, NDIM >::inner_internal(), madness::ThreadPool::instance(), madness::RMI::isend(), madness::PNO::iterate_pairs(), madness::PNO::iterate_pairs_internal(), madness::CC2::iterate_singles(), ExactSpinor::l_char_to_int(), madness::archive::ArchiveLoadImpl< Archive, const FunctionImpl< T, NDIM > * >::load(), madness::archive::ArchiveLoadImpl< Archive, FunctionImpl< T, NDIM > * >::load(), madness::archive::ArchiveLoadImpl< Archive, GenTensor< T > >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, const WorldObject< Derived > * >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, WorldObject< Derived > * >::load(), madness::archive::TextFstreamInputArchive::load(), madness::archive::VectorInputArchive::load(), madness::Function< double, 3 >::load(), madness::madness::archive::ArchiveLoadImpl< Archive, std::shared_ptr< ScalarResultImpl< T > > >::load(), madness::Cloud::load_from_cache(), madness::SCF::load_mos(), madness::GTHPseudopotential< Q >::load_pseudo_from_file(), madness::archive::ContainerRecordInputArchive::load_raw(), madness::Mutex::lock(), madness::PthreadConditionVariable::lock(), madness::RecursiveMutex::lock(), madness::Spinlock::lock(), madness::BasisFunctions::lqtoint(), madness::ThreadBase::main(), main(), madness::CCPotentials::make_6D_pair(), madness::PNO::make_bsh_operators(), madness::TwoElectronInterface< T, NDIM >::make_coeff(), DF::make_component_lineplots(), DF::make_component_logplots(), DF::make_density_lineplots(), madness::NemoBase::make_fock_operator(), madness::Zcis::make_guess(), madness::TDHF::make_guess_from_initial_diagonalization(), madness::MP2::make_KffKphi0(), madness::XCfunctional::make_libxc_args(), madness::CCPotentials::make_pair_gs(), make_ri_basis(), madness::TDHF::make_tdhf_potentials(), madness::SeparatedConvolution< double, 3 >::make_tt_representation(), madness::MP2::make_Uphi0(), madness::XCOperator< T, NDIM >::make_xc_potential_impl(), madness::AtomicBasisSet::modify_dmat_psp(), madness::MolecularOptimizationTargetInterface::molecule(), madness::Function< double, 3 >::mul_on_demand(), madness::CCPairFunction< T, NDIM >::multiply, madness::QCPropertyInterface::multipole_moment(), madness::name(), madness::GenTensor< T >::nCoeff(), madness::QCPropertyInterface::no_cusp_density(), madness::QCPropertyInterface::no_cusp_spindensity(), madness::CCPairFunction< T, NDIM >::norm2(), madness::LRFunctorBase< T, NDIM, LDIM >::norm2(), madness::FunctionImpl< T, LDIM >::NS_fcube_for_mul(), madness::QCPropertyInterface::nuclear_derivative(), madness::Molecule::nuclear_dipole(), madness::PCM::nuclear_mep(), madness::Molecule::nuclear_repulsion_second_derivative(), madness::ThreadBase::num_hw_processors(), madness::archive::BinaryFstreamInputArchive::open(), madness::archive::TextFstreamInputArchive::open(), madness::GenTensor< T >::operator GenTensor< Q >(), madness::BasisFunctions::SolidHarmonicGaussian::operator()(), madness::BinaryOpStructure< NDIM >::operator()(), madness::BSHApply< T, NDIM >::operator()(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::Cloud::DistributeFunctor< T, NDIM >::operator()(), madness::ElectronCuspyBox_op< T, NDIM >::operator()(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::operator()(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::operator()(), madness::Fock< T, NDIM >::operator()(), madness::FunctionFunctorInterface< double, 3 >::operator()(), madness::FunctionFunctorInterface< double, 3 >::operator()(), madness::FunctionFunctorInterface< double, 3 >::operator()(), madness::FunctionFunctorInterface< double, 3 >::operator()(), madness::FunctionFunctorInterface< double, 3 >::operator()(), madness::FunctionFunctorInterface< double, 3 >::operator()(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::operator()(), madness::FunctionImpl< T, NDIM >::do_dot_local< R >::operator()(), madness::FunctionImpl< T, NDIM >::do_inner_local< R >::operator()(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::operator()(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::operator()(), madness::hartree_convolute_leaf_op< T, NDIM, LDIM, opT >::operator()(), madness::hartree_leaf_op< T, NDIM >::operator()(), madness::Kinetic< T, NDIM >::operator()(), madness::Kinetic< T, NDIM >::operator()(), madness::LRFunctorF12< T, NDIM, LDIM >::operator()(), madness::MacroTaskComputeCorrelationEnergy::operator()(), madness::MP3::MacroTaskMP3::operator()(), madness::noop< T, NDIM >::operator()(), madness::NuclearCuspyBox_op< T, NDIM >::operator()(), madness::ProjRLMFunctor::operator()(), madness::ProjRLMFunctor::operator()(), SphericalHarmonics::operator()(), madness::Hash_private::HashAccessor< hashT, entryT::WRITELOCK >::operator*(), madness::Hash_private::HashAccessor< hashT, entryT::WRITELOCK >::operator->(), madness::operator<<(), madness::GenTensor< T >::operator=(), madness::SliceLowRankTensor< T >::operator=(), madness::operator>>(), madness::operator>>(), madness::operator>>(), madness::outer(), madness::outer(), madness::LBDeuxPmap< NDIM >::owner(), madness::FunctionImpl< T, NDIM >::parent_to_child_NS(), madness::FunctionImpl< T, LDIM >::partial_inner_contract(), madness::SeparatedConvolution< double, 3 >::partial_upsample(), madness::MacroTaskPartitioner::partition_tasks(), Plotter::plot(), madness::plot_along(), madness::plot_along(), madness::plot_cubefile(), 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(), madness::plotpovray(), plotvtk(), madness::plotvtk_begin(), madness::plotvtk_data(), madness::plotvtk_data(), madness::plotvtk_data(), madness::plotvtk_end(), madness::MacroTaskInfo::policy_to_string(), madness::RMI::RmiTask::post_pending_huge_msg(), madness::RMI::RmiTask::post_recv_buf(), madness::Leaf_op_other< T, NDIM >::post_screening(), madness::Leaf_op< T, NDIM, opT, specialboxT >::pre_screening(), madness::archive::ArchivePrePostImpl< Archive, T >::preamble_load(), madness::BasisFunctions::predefined_guess(), madness::MacroTask< taskT >::prepare_output_records(), madness::MacroTaskInfo::preset(), madness::OEP::print_parameters(), madness::RMI::RmiTask::process_some(), madness::FunctionImpl< T, NDIM >::project(), madness::CCPairFunction< T, NDIM >::project_out(), madness::Function< double, 3 >::project_out(), madness::FunctionImpl< T, LDIM >::project_out2(), madness::CCPairFunction< T, NDIM >::project_out_op_decomposed(), ExactSpinor::psivalue(), madness::CCPairFunction< T, NDIM >::pure(), AnsatzBase::R(), madness::TensorTrain< T >::ranks(), InputParameters::read(), madness::DFParameters::read(), madness::InitParameters::read(), Plotter::read(), madness::read_atom(), madness::BasisFunctions::read_contracted_basis_from_file(), madness::Znemo::read_explicit_guess_functions(), AtomicBasisSet::read_file(), madness::AtomicBasisSet::read_file(), madness::ElectronicStructureParams::read_file(), madness::Molecule::read_file(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::FunctionImpl< T, LDIM >::read_grid2(), madness::Molecule::read_structure_from_library(), madness::Molecule::read_xyz(), madness::GenTensor< T >::real_size(), madness::Znemo::recompute_factors_and_potentials(), madness::FunctionNode< T, NDIM >::recompute_snorm_and_dnorm(), madness::redirectio(), madness::projector_irrep::reduce(), madness::SVDTensor< T >::reduce, madness::Barrier::register_thread(), madness::DispersionCorrection::reject(), madness::CCPairFunction< T, NDIM >::remove_linearly_dependent_terms(), madness::FutureImpl< T >::replace_with(), madness::Function< double, 3 >::replicate(), madness::Cloud::replicate_according_to_policy(), madness::Cloud::replicate_per_node(), madness::CCPairFunction< T, NDIM >::reset_operator(), madness::restart_mode_from_string(), AnsatzBase::Rinv(), madness::MacroTask< taskT >::MacroTaskInternal::run(), madness::TaskInterface::run(), madness::TaskInterface::run(), Peasant::run(), madness::ThreadPool::run_task(), madness::ThreadPool::run_tasks(), madness::AdhocNuclearCorrelationFactor::S(), madness::Leaf_op< T, NDIM, opT, specialboxT >::sanity(), madness::Leaf_op_other< T, NDIM >::sanity(), madness::SRConf< T >::scale(), madness::ProjRLMFunctor::screened(), madness::FunctionImpl< T, NDIM >::do_accumulate_trees< Q, R >::serialize(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::serialize(), madness::FunctionImpl< T, NDIM >::do_dot_local< R >::serialize(), madness::FunctionImpl< T, NDIM >::do_err_box< opT >::serialize(), madness::FunctionImpl< T, NDIM >::do_inner_ext_local_ffi::serialize(), madness::FunctionImpl< T, NDIM >::do_inner_local< R >::serialize(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::serialize(), madness::FunctionImpl< T, NDIM >::do_map_and_mirror::serialize(), madness::FunctionImpl< T, NDIM >::do_mapdim::serialize(), madness::FunctionImpl< T, NDIM >::do_mirror::serialize(), madness::FunctionImpl< T, NDIM >::do_norm2sq_local::serialize(), madness::FunctionImpl< T, NDIM >::do_standard::serialize(), madness::LowRankFunction< T, NDIM, LDIM >::serialize(), madness::WorldContainerIterator< internal_const_iteratorT >::serialize(), GridBuilder::set_angular_points_from_order(), madness::Molecule::GeometryParameters::set_derived_values(), madness::OEP_Parameters::set_derived_values(), madness::PCMParameters::set_derived_values(), madness::projector_irrep::set_irrep(), madness::projector_irrep::set_ordering(), madness::StrongOrthogonalityProjector< T, NDIM >::set_particle(), madness::PthreadConditionVariable::signal(), madness::slater_radius(), madness::CC2::solve(), solve(), madness::CC2::solve_ccs(), madness::TDHF::solve_tdhf(), madness::AdhocNuclearCorrelationFactor::Sp(), madness::poly4erfc::Sp(), madness::Leaf_op_other< T, NDIM >::special_refinement_needed(), madness::QCPropertyInterface::spindensity(), madness::AdhocNuclearCorrelationFactor::Spp_div_S(), madness::AdhocNuclearCorrelationFactor::Sr_div_S(), madness::AdhocNuclearCorrelationFactor::Srr_div_S(), madness::poly4erfc::Srr_div_S(), madness::AdhocNuclearCorrelationFactor::Srrr_div_S(), madness::poly4erfc::Srrr_div_S(), madness::ThreadBase::start(), madness::Cloud::store(), madness::Cloud::store_batch(), madness::Cloud::store_other(), madness::ExchangeAlgorithm< T, NDIM >::string2algorithm(), madness::stringify(), madness::symmetrize(), madness::GenTensor< T >::TENSOR_RESULT_TYPE(), madness::GenTensor< T >::tensor_type(), test_accessors(), test_converged_function(), madness::Znemo::test_landau_wave_function(), test_lowrank_function(), test_modified(), madness::CCPotentials::test_pairs(), test_recursive_application(), madness::MacroTaskInfo::to_cloud_storage_policy(), madness::SRConf< T >::trace(), madness::TensorTrain< T >::trace(), madness::TensorTrain< T >::truncate(), madness::FunctionImpl< T, NDIM >::truncate_tol(), madness::MutexReaderWriter::try_lock(), madness::TensorTrain< T >::two_mode_representation(), madness::NuclearCorrelationFactor::U2X_spherical(), madness::poly4erfc::U2X_spherical(), madness::Polynomial< N >::U2X_spherical(), SafeMPI::Intracomm::Impl::unique_reserved_tag(), madness::Mutex::unlock(), madness::MutexReaderWriter::unlock(), madness::PthreadConditionVariable::unlock(), madness::RecursiveMutex::unlock(), madness::Spinlock::unlock(), madness::detail::RemoteCounter::unregister_ptr_(), madness::CCConvolutionOperator< T, NDIM >::update_elements(), V(), madness::KernelRange::Restrictor::value(), madness::FunctionFunctorInterface< double, 3 >::values(), madness::PNOPairs::verify(), madness::FunctionImpl< T, NDIM >::verify_tree_state_local(), madness::randomgrid< NDIM >::volume(), FunctionIO< double, D >::write_function_coeffs(), and write_function_coeffs().