MADNESS
0.10.1
|
#include <iostream>
#include <signal.h>
#include <cstdlib>
#include <cstdio>
#include <execinfo.h>
Functions | |
void | a () |
void | b () |
void | c () |
void | d () |
void | e () |
void | madness_signal_action (int signum, siginfo_t *info, void *context) |
int | main () |
void | print_backtrace (int fd) |
void d | ( | ) |
References e().
Referenced by madness::IndexIterator::IndexIterator(), OpFExact::OpFExact(), madness::SeparatedConvolution< Q, NDIM >::SeparatedConvolution(), madness::Tensor< T >::Tensor(), madness::TensorTrain< T >::TensorTrain(), madness::TwoElectronInterface< T, NDIM >::TwoElectronInterface(), madness::WorldProfileObj::~WorldProfileObj(), madness::adq1(), madness::Tensor< T >::allocate(), madness::apply(), madness::SeparatedConvolution< Q, NDIM >::apply_transformation(), madness::SeparatedConvolution< Q, NDIM >::apply_transformation2(), area_two_spheres(), c(), madness::SeparatedConvolution< Q, NDIM >::check_cubic(), custom_serialize_tester::cloud_load(), custom_serialize_tester::cloud_store(), madness::Displacements< NDIM >::cmp_keys_periodicsum(), SurfaceMoleculeInteraction::colloid_coords(), madness::FunctionImpl< T, NDIM >::compress_op(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::compute_error_from_inaccurate_refinement(), madness::concatenate_rows(), converge(), madness::cross(), madness::cycle_count(), madness::TensorTrain< T >::decompose(), dfunc(), dipole_generator(), madness::Key< NDIM >::distsq(), madness::LLRVDomainMask::dmask(), madness::GaussianDomainMask::dmask(), madness::FunctionImpl< T, NDIM >::do_apply(), madness::FunctionImpl< T, NDIM >::do_apply_directed_screening(), madness::Derivative< T, NDIM >::do_diff2b(), madness::Derivative< T, NDIM >::do_diff2i(), madness::FunctionImpl< T, NDIM >::do_print_grid(), Node::do_sum_spawn(), doit(), madness::LLRVDomainMask::dsurface(), madness::GaussianDomainMask::dsurface(), madness::Function< T, NDIM >::eval(), madness::Function< T, NDIM >::eval_cube(), madness::SDFParaboloid::eval_cubic(), madness::Function< T, NDIM >::eval_local_only(), madness::Function< T, NDIM >::evaldepthpt(), madness::Function< T, NDIM >::evalR(), expV(), fastsum_oscillating(), madness::FunctionImpl< T, NDIM >::fcube_for_mul(), madness::SDFParaboloid::find_root(), madness::Tensor< T >::flat(), madness::BaseTensor::flat_inplace(), func(), madness::TensorTrain< T >::fusedim(), madness::randomgrid< NDIM >::gaussian_random_distribution(), madness::TensorTrain< T >::gaxpy(), madness::FunctionImpl< T, NDIM >::gaxpy_ext_recursive(), madness::general_transform(), madness::randomgrid< NDIM >::get_grid(), madness::SDFParaboloid::get_roots(), madness::get_size(), madness::SeparatedConvolution< Q, NDIM >::getmuop(), madness::SeparatedConvolution< Q, NDIM >::getmuop_modified(), madness::SeparatedConvolution< Q, NDIM >::getop(), madness::SeparatedConvolution< Q, NDIM >::getop_ns(), madness::GradBSHOperator(), GradBSHOperator_Joel(), madness::GradCoulombOperator(), madness::gradient_operator(), gradPbarA(), madness::GradSlaterOperator(), madness::LBNodeDeux< NDIM >::index(), madness::TwoElectronInterface< T, NDIM >::initialize(), madness::SeparatedConvolution< Q, NDIM >::initialize(), madness::inner(), madness::FunctionImpl< T, NDIM >::inner_adaptive_recursive(), madness::FunctionImpl< T, NDIM >::inner_ext_recursive(), is_equal(), madness::BoundaryConditions< NDIM >::is_periodic(), TTT::kate(), madness::SystolicPMOrbitalLocalize::localize_PM_ij(), main(), make_dimensions(), madness::Displacements< NDIM >::make_disp(), madness::Displacements< NDIM >::make_disp_periodicsum(), make_grad_operator(), madness::FunctionImpl< T, NDIM >::make_redundant_op(), madness::smooth< T, NDIM >::make_sigma(), madness::SeparatedConvolution< Q, NDIM >::make_tt_representation(), madness::LLRVDomainMask::mask(), madness::GaussianDomainMask::mask(), madness::matrix_inner(), madness::SeparatedConvolution< Q, NDIM >::munorm2_modified(), madness::SeparatedConvolution< Q, NDIM >::munorm2_ns(), madness::SeparatedConvolution< Q, NDIM >::muopxv_fast(), madness::SeparatedConvolution< Q, NDIM >::muopxv_fast2(), madness::SeparatedConvolution< Q, NDIM >::norm(), madness::Vector< T, N >::normf(), madness::FunctionImpl< T, NDIM >::NS_fcube_for_mul(), DSphere::operator()(), OpFExact::operator()(), Node::do_random_insert::operator()(), Walker1::operator()(), SurfaceMoleculeInteraction::Bop::operator()(), Uop::operator()(), madness::slater_kernel::operator()(), madness::dens_inv::operator()(), madness::op_leaf_op< T, NDIM, opT >::operator()(), madness::abs_square_op< Q, NDIM >::operator()(), madness::hartree_convolute_leaf_op< T, NDIM, LDIM, opT >::operator()(), madness::Tensor< T >::operator()(), madness::int_factor_functor< NDIM >::operator()(), madness::lr_pot_functor< NDIM >::operator()(), madness::BoundaryConditions< NDIM >::operator()(), madness::FunctionImpl< T, NDIM >::do_truncate_NS_leafs::operator()(), Fred::operator*(), madness::IndexIterator::operator++(), madness::HighDimIndexIterator::operator++(), madness::LowDimIndexIterator::operator++(), madness::NonstandardIndexIterator::operator++(), madness::TensorIterator< T, Q, R >::operator++(), madness::operator<<(), custom_serialize_tester::operator==(), madness::DistributedMatrixDistribution::operator==(), madness::IndexIterator::operator[](), madness::outer(), madness::FunctionImpl< R, NDIM >::parent_to_child(), madness::WorldProfileObj::pause(), madness::plotdx(), madness::plotpovray(), madness::XCfunctional::polyn(), madness::Leaf_op< T, NDIM, opT, specialboxT >::post_screening(), madness::print_seq(), madness::FunctionImpl< T, NDIM >::print_size(), madness::FunctionImpl< T, NDIM >::project_refine_op(), Node::random_insert(), madness::FunctionImpl< T, NDIM >::reconstruct_op(), madness::FunctionImpl< T, NDIM >::recur_down_for_contraction_map(), Node::recursive_print(), madness::WorldProfile::recv_stats(), madness::FunctionImpl< T, NDIM >::refine_op(), madness::FunctionImpl< T, NDIM >::refine_to_common_level(), madness::IndexIterator::reset(), madness::Tensor< T >::reshape(), madness::BaseTensor::reshape_inplace(), madness::rot(), madness::SDFParaboloid::sdf(), madness::BaseTensor::set_dims_and_size(), madness::FunctionImpl< T, NDIM >::sum_down_spawn(), madness::LLRVDomainMask::surface(), madness::GaussianDomainMask::surface(), madness::swap_particles(), Test1(), test1(), test11(), test12(), test13(), test2(), Test5(), test7(), test_in(), test_local(), test_opdir(), test_out(), testgradG(), testNavierStokes(), madness::FunctionImpl< R, NDIM >::tnorm(), madness::TensorTrain< T >::trace(), madness::transform(), madness::TensorTrain< T >::truncate(), madness::TensorTrain< T >::verify(), volume_two_spheres(), walker1(), and walker2().
void e | ( | ) |
References f.
Referenced by madness::BandlimitedPropagator::BandlimitedPropagator(), madness::ConvolutionData1D< Q >::ConvolutionData1D(), madness::DFTCoulombOp< T, NDIM >::DFTCoulombOp(), madness::DFTCoulombPeriodicOp< T, NDIM >::DFTCoulombPeriodicOp(), madness::DFTNuclearChargeDensityOp< T, NDIM >::DFTNuclearChargeDensityOp(), DiracParameters::DiracParameters(), madness::ElectronicStructureParams::ElectronicStructureParams(), EwaldNuclearPotentialFunctor::EwaldNuclearPotentialFunctor(), madness::GenericConvolution1D< Q, opT >::GenericConvolution1D(), madness::Molecule::GeometryParameters::GeometryParameters(), MatrixOperator::MatrixOperator(), madness::Molecule::Molecule(), NuclearChargeDensityOp< T, NDIM >::NuclearChargeDensityOp(), ParserHandler< T, NDIM >::ParserHandler(), madness::XCfunctional::XCfunctional(), madness::Molecule::add_atom(), MolecularEntity::add_atom(), madness::adq1(), KPeriodicBSHOperator::apply(), madness::Solver< T, NDIM >::apply_hf_exchange(), apply_periodic_bsh(), madness::GTHPseudopotential< Q >::apply_potential(), madness::GTHPseudopotential< Q >::apply_potential_simple(), applyexpLt(), madness::GFit< T, NDIM >::bsh_fit(), madness::HartreeFock< T, NDIM >::calculate_coulomb_energy(), madness::HartreeFock< T, NDIM >::calculate_exchange_energy(), madness::DFT< T, NDIM >::calculate_tot_coulomb_energy(), madness::DFT< T, NDIM >::calculate_tot_pe_sp(), ParserHandler< T, NDIM >::changeExpr(), madness::SeparatedConvolution< Q, NDIM >::check_cubic(), madness::check_linear_dependence(), check_multiplication_table_c2v(), check_operator_multiplications_2d(), check_operator_multiplications_3d(), MySteepestDescent::check_positive(), compute_energy(), madness::MP2::compute_gQf(), madness::Nemo::compute_IR_intensities(), converge(), converge2s(), madness::Solver< T, NDIM >::csqrt(), d(), madness::d2smoothed_potential(), d_smoothed_potential(), delta(), diag_and_transform(), EwaldNuclearPotentialFunctor::do_G_sum_v2(), madness::Solver< T, NDIM >::do_rhs(), madness::Solver< T, NDIM >::do_rhs_simple(), MiniDFT::doit(), doit(), dsmoothed_potential(), Ebark(), erfaroverr(), GygiPot::ESP(), madness::Function< T, NDIM >::eval(), ContractedGaussianShell::eval(), madness::ContractedGaussianShell::eval(), madness::CoreOrbital::eval(), madness::Function< T, NDIM >::eval_cube(), madness::CoreOrbital::eval_derivative(), madness::Function< T, NDIM >::eval_local_only(), madness::Function< T, NDIM >::evaldepthpt(), madness::Function< T, NDIM >::evalR(), find_fuzzy(), madness::Solver< T, NDIM >::fix_occupations(), fixphases(), madness::gauss_legendre_numeric(), madness::geev(), madness::geevp(), gen_ce(), madness::ggev(), madness::ggevp(), MolecularMaskBase::gradient(), guess(), madness::BasisFunctions::guess_virtual_gaussian_shell(), madness::BasisFunctions::guess_virtuals_from_file(), madness::BasisFunctions::guess_virtuals_internal(), h_orbital(), madness::Znemo::hcore_guess(), he_munge(), he_plus_orbital(), QuasiNewton::hessian_update_sr1(), madness::QuasiNewton::hessian_update_sr1(), madness::init_tensor_lapack(), madness::Solver< T, NDIM >::initial_guess(), madness::SCF::initial_guess(), initial_guess(), madness::XCfunctional::initialize(), iterate(), iterate_excite(), iterate_ground(), iterate_xy(), madness::jacobi(), jacobi(), KAIN(), Calculation::load_mos(), madness::Localizer::localize_boys(), madness::SystolicPMOrbitalLocalize::localize_PM_ij(), main(), madness::ThreadBase::main(), make_bsh_operator(), madness::EigSolver< T, NDIM >::make_bsh_operators(), MiniDFT::make_bsh_operators(), make_bsh_operators(), MiniDFT::make_coulomb_potential(), make_coulomb_potential(), make_fit(), make_pw_matrix(), madness::MP2::make_Uphi0(), madness::Solver< T, NDIM >::matrix_exponential(), matrix_exponential(), madness::AtomicBasisSet::modify_dmat_psp(), munge(), myf(), madness::myusleep(), QuasiNewton::new_search_direction(), madness::QuasiNewton::new_search_direction(), madness::MolecularOptimizer::new_search_direction2(), norm(), nuclear_potential(), madness::HartreeFockExchangeOp< T, NDIM >::op_o(), madness::HartreeFockCoulombOp< T, NDIM >::op_r(), sgl_guess::operator()(), OpFExact::operator()(), madness::BasisFunctions::CartesianGaussian::operator()(), HeElectronicChargeDensityIGuess< T, NDIM >::operator()(), ParserHandler< T, NDIM >::operator()(), AtomicBasisFunctor< Q >::operator()(), H2Potential::operator()(), GaussianGuess< NDIM >::operator()(), madness::xc_lda_potential::operator()(), gauss< T, NDIM >::operator()(), BoysLocalization::operator()(), madness::operator<<(), opt(), optimize_coeffs(), madness::MolecularOptimizer::optimize_quasi_newton(), madness::Molecule::orient(), orth(), madness::Zcis::orthonormalize(), SurfaceMoleculeInteraction::perturbed_molecular_pot(), madness::FunctionImpl< T, NDIM >::phi_for_mul(), madness::XCfunctional::plot(), plot_symmetry_operators(), madness::XCfunctional::polyn(), potn(), madness::Solver< T, NDIM >::print_fock_matrix_eigs(), madness::FunctionNode< T, NDIM >::print_json(), Calculation::project_potential_basis(), projector_external_dof(), madness::MolecularOptimizer::projector_external_dof(), psi(), psi_func_be1(), psi_func_he(), random_gaussian(), madness::Molecule::read(), madness::read_atom(), madness::F12Potentials::read_cabs_from_file(), MolecularEntity::read_file(), madness::QCCalculationParametersBase::read_input(), madness::QCCalculationParametersBase::read_input_and_commandline_options(), madness::QCCalculationParametersBase::read_internal(), madness::read_orbital(), madness::read_potential(), read_test_data(), madness::read_twoscale(), madness::Molecule::read_xyz(), relops_h(), rk_v(), rks_c_vwn5__(), rks_x_lda__(), madness::GenericConvolution1D< Q, opT >::rnlp(), madness::GaussianConvolution1D< Q >::rnlp(), madness::MacroTask< taskT >::MacroTaskInternal::run(), run_all_calculations(), madness::detail::adqtest::runtest(), madness::ProjRLMFunctor::screened(), madness::FunctionDefaults< NDIM >::set_defaults(), madness::CalculationParameters::set_derived_values(), Calculation::set_protocol(), madness::GFit< T, NDIM >::slater_fit(), smoothed_potential(), smoothing_parameter(), madness::smoothing_parameter(), SVPESolver::solve(), madness::EigSolver< T, NDIM >::solve(), madness::GaussSlater::Spp_div_S(), madness::GradientalGaussSlater::Spp_div_S(), madness::GradientalGaussSlater::Sr_div_S(), madness::GradientalGaussSlater::Srr_div_S(), madness::GradientalGaussSlater::Srrr_div_S(), madness::syev(), madness::sygv(), madness::sygvp(), madness::BandlimitedPropagator::test(), test(), test0GaussLobatto(), Test1(), test1(), Test5(), Test6(), Test7(), test_adaptive_tree(), test_apply_push_1d(), test_basic(), test_bsh(), TEST_CASE(), test_chin_chen(), test_compress(), test_coulomb(), test_G_R_vectors(), test_gaussian_num_coeffs(), madness::test_gelss(), test_gence(), test_gence2(), test_he(), test_he_potential(), test_hf_be(), test_hf_h2(), test_hf_he(), test_hydro(), test_in(), test_io(), test_lda(), test_local(), test_math(), test_modified(), test_nuclear_energy(), test_nuclear_potential(), test_nuclear_potential2(), test_nuclear_potential3(), test_nuclear_potential_big_unit_cell(), test_opdir(), test_orthogonalization(), test_out(), test_per(), test_periodic(), test_periodic1(), test_periodic2(), test_periodic_bsh(), madness::Solver< T, NDIM >::test_periodicity(), test_plot(), test_proj(), test_qm(), test_read_restartaodata(), test_read_restartdata(), test_recursive_application(), madness::test_rnlp(), madness::test_syev(), madness::test_sygv(), madness::test_tensor_lapack(), test_trotter(), madness::test_two_scale_coefficients(), test_unaryop(), test_xc2(), test_XCOperator(), testbsh(), testgradG(), testNavierStokes(), testPeriodicCoulomb3d(), madness::time_transform(), madness::scf_data::to_json(), madness::GFit< T, NDIM >::truncate_periodic_expansion(), u(), update(), MiniDFT::update(), madness::PNO::update_pno(), madness::SubspaceK< T, NDIM >::update_subspace(), madness::Subspace< T, NDIM >::update_subspace(), madness::SCF::update_subspace(), Subspace::update_subspace(), V(), V_func_be(), V_func_h2(), V_func_he(), GaussianGuess< NDIM >::val(), CoreFittingTarget::value(), Fred::value_and_gradient(), and madness::wall_time().
void madness_signal_action | ( | int | signum, |
siginfo_t * | info, | ||
void * | context | ||
) |
References print_backtrace().
Referenced by main().
int main | ( | void | ) |
References a(), and madness_signal_action().
void print_backtrace | ( | int | fd | ) |
Referenced by madness_signal_action().