test periodic convolutiosn More...
Typedefs | |
| typedef Vector< double, 3 > | coordT |
Functions | |
| int | main (int argc, char **argv) |
| double | potential (const coordT &r) |
| double_complex | pw_lhs (const coord_3d &r) |
| double_complex | pw_rhs (const coord_3d &r) |
| double | source (const coordT &r) |
| double | source1 (const coord_1d &r) |
| int | test_periodic (World &world) |
| int | test_periodic1 (World &world) |
| int | test_periodic2 (World &world) |
| int | test_periodic_bsh (World &world) |
| double | u (const double x, const double expnt) |
Variables | |
| int | G0 = 1 |
| int | G1 = 2 |
| int | G2 = 2 |
| double | k0 = 1.0 |
| double | k1 = 1.0 |
| double | k2 = 0.0 |
| const double | L = 3.0 |
| double | mu |
| const int | nwave = 2 |
| const char * | status [2] = {"FAIL !!!!!","PASS"} |
Detailed Description
test periodic convolutiosn
Typedef Documentation
◆ coordT
Function Documentation
◆ main()
| int main | ( | int | argc, |
| char ** | argv | ||
| ) |
References madness::BC_PERIODIC, SafeMPI::COMM_WORLD, e(), madness::error(), madness::WorldGopInterface::fence(), madness::finalize(), madness::World::gop, madness::initialize(), madness::print(), madness::World::rank(), madness::FunctionDefaults< NDIM >::set_bc(), madness::startup(), test_periodic(), test_periodic1(), test_periodic2(), and test_periodic_bsh().
◆ potential()
| double potential | ( | const coordT & | r | ) |
References L, nwave, madness::constants::pi, and source().
Referenced by test_periodic2().
◆ pw_lhs()
| double_complex pw_lhs | ( | const coord_3d & | r | ) |
References G0, G2, k0, k1, k2, L, and madness::constants::pi.
Referenced by test_periodic_bsh().
◆ pw_rhs()
| double_complex pw_rhs | ( | const coord_3d & | r | ) |
References G0, G2, k0, k1, k2, L, mu, and madness::constants::pi.
Referenced by test_periodic_bsh().
◆ source()
| double source | ( | const coordT & | r | ) |
References L, nwave, and madness::constants::pi.
Referenced by madness::SeparatedConvolution< Q, NDIM >::apply(), madness::SeparatedConvolution< Q, NDIM >::apply2(), madness::SeparatedConvolution< Q, NDIM >::apply2_lowdim(), madness::displacement(), madness::FunctionImpl< T, NDIM >::do_apply(), madness::FunctionImpl< T, NDIM >::do_apply_directed_screening(), madness::SeparatedConvolution< Q, NDIM >::estimate_costs(), madness::SeparatedConvolution< Q, NDIM >::get_source_key(), madness::SeparatedConvolution< Q, NDIM >::getmuop_modified(), madness::SeparatedConvolution< Q, NDIM >::getop(), madness::SeparatedConvolution< Q, NDIM >::getop_modified(), madness::WorldMpiInterface::Irecv(), madness::SeparatedConvolution< Q, NDIM >::make_tt_representation(), madness::op_leaf_op< T, NDIM, opT >::operator()(), madness::Leaf_op< T, NDIM, opT, specialboxT >::post_screening(), potential(), putwa_(), madness::WorldGopInterface::recv(), SafeMPI::Intracomm::Recv(), SafeMPI::Status::Set_source(), madness::AmArg::set_src(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< localarchiveT >, WorldContainer< keyT, valueT > >::store(), madness::Cloud::store(), madness::Cloud::store_other(), test_periodic(), and test_periodic2().
◆ source1()
| double source1 | ( | const coord_1d & | r | ) |
References L, nwave, and madness::constants::pi.
Referenced by test_periodic1().
◆ test_periodic()
| int test_periodic | ( | World & | world | ) |
References e(), madness::FunctionFactory< T, NDIM >::f(), madness::f, madness::WorldGopInterface::fence(), madness::World::gop, k, L, op(), madness::constants::pi, pow(), madness::print(), madness::Function< T, NDIM >::reconstruct(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), source(), status, thresh, and u().
Referenced by main().
◆ test_periodic1()
| int test_periodic1 | ( | World & | world | ) |
References e(), madness::FunctionFactory< T, NDIM >::f(), madness::f, madness::WorldGopInterface::fence(), madness::World::gop, k, L, op(), madness::constants::pi, pow(), madness::print(), madness::Function< T, NDIM >::reconstruct(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), source1(), status, thresh, and u().
Referenced by main().
◆ test_periodic2()
| int test_periodic2 | ( | World & | world | ) |
References madness::CoulombOperator(), e(), exact, madness::FunctionFactory< T, NDIM >::f(), madness::f, madness::WorldGopInterface::fence(), madness::World::gop, k, L, op(), potential(), madness::print(), madness::Function< T, NDIM >::reconstruct(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), source(), status, and thresh.
Referenced by main().
◆ test_periodic_bsh()
| int test_periodic_bsh | ( | World & | world | ) |
References std::abs(), madness::apply(), madness::BSHOperator3D(), e(), exact, madness::FunctionFactory< T, NDIM >::f(), madness::f, madness::WorldGopInterface::fence(), madness::World::gop, k, L, mu, op(), madness::print(), pw_lhs(), pw_rhs(), madness::Function< T, NDIM >::reconstruct(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), status, and thresh.
Referenced by main().
◆ u()
| double u | ( | const double | x, |
| const double | expnt | ||
| ) |
References L, nwave, and madness::constants::pi.
Referenced by madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), apply_potential(), applyexpLt(), applyN(), madness::Stack< T, N >::clear(), madness::TensorTrain< T >::decompose(), GygiPot::dESP_drho(), doit(), madness::CorePotential::eval(), madness::FunctionImpl< T, NDIM >::eval_cube(), madness::CorePotential::eval_derivative(), expL_double(), gesvd_(), hamiltonian_matrix(), madness::hash_value(), hashbig(), hashlittle(), hashlittle2(), madness::CC2::iterate_lrcc2_pairs(), madness::jacobi(), jacobi(), Calculation::load_mos(), main(), SVPESolver::make_surface_charge(), GygiPot::make_surfcharge(), SurfaceMoleculeInteraction::make_surfcharge(), moments(), madness::Stack< T, N >::move(), N_double(), normalize2(), madness::Molecule::nuclear_attraction_potential_second_derivative(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::Stack< T, N >::reset(), SVPESolver::solve(), madness::CC2::solve_mp2_coupled(), test(), test0(), test0GaussLobatto(), test1(), test_periodic(), test_periodic1(), test_U_el(), testNavierStokes(), madness::NonlinearSolverND< NDIM >::update(), madness::XNonlinearSolver< T, C, Alloc >::update(), madness::CCPair::update_u(), and GygiPot::V_epsilon().
Variable Documentation
◆ G0
| int G0 = 1 |
Referenced by pw_lhs(), pw_rhs(), test_chin_chen(), test_trotter(), and trotter().
◆ G1
| int G1 = 2 |
◆ G2
| int G2 = 2 |
◆ k0
| double k0 = 1.0 |
Referenced by KPoint::KPoint(), madness::apply(), madness::Solver< T, NDIM >::do_rhs(), madness::Solver< T, NDIM >::do_rhs_simple(), madness::Solver< T, NDIM >::genkmesh(), ground_exchange_multiworld(), madness::inner(), madness::inner_result(), kinetic_energy_matrix_slow(), madness::TensorTrain< T >::make_operator(), madness::FunctionImpl< T, NDIM >::print_stats(), pw_lhs(), pw_rhs(), and madness::Solver< T, NDIM >::solve().
◆ k1
| double k1 = 1.0 |
Referenced by KPoint::KPoint(), madness::Solver< T, NDIM >::apply_hf_exchange(), madness::Solver< T, NDIM >::do_rhs(), madness::Solver< T, NDIM >::do_rhs_simple(), madness::Solver< T, NDIM >::find_kpt_from_orb(), madness::Solver< T, NDIM >::genkmesh(), madness::inner(), madness::inner_result(), kinetic_energy_matrix_slow(), madness::SCF::load_mos(), madness::outer(), pw_lhs(), pw_rhs(), madness::Znemo::read_real_guess(), madness::MolecularOrbitals< T, NDIM >::read_restartdata(), madness::MolecularOrbitals< T, NDIM >::save_restartdata(), madness::Solver< T, NDIM >::solve(), and madness::TensorTrain< T >::splitdim().
◆ k2
| double k2 = 0.0 |
Referenced by KPoint::KPoint(), madness::Solver< T, NDIM >::apply_hf_exchange(), madness::Solver< T, NDIM >::do_rhs(), madness::Solver< T, NDIM >::do_rhs_simple(), Key::foreach_child(), madness::Solver< T, NDIM >::genkmesh(), kinetic_energy_matrix_slow(), madness::TensorTrain< T >::make_operator(), madness::outer(), pw_lhs(), pw_rhs(), madness::Znemo::read_real_guess(), madness::Solver< T, NDIM >::solve(), and madness::TensorTrain< T >::splitdim().
◆ L
| const double L = 3.0 |
Referenced by potential(), pw_lhs(), pw_rhs(), source(), source1(), test_periodic(), test_periodic1(), test_periodic2(), test_periodic_bsh(), and u().
◆ mu
| double mu |
Referenced by pw_rhs(), and test_periodic_bsh().
◆ nwave
| const int nwave = 2 |
Referenced by potential(), source(), source1(), and u().
◆ status
| const char* status[2] = {"FAIL !!!!!","PASS"} |
Referenced by madness::Hash_private::bin< keyT, valueT >::del(), errmsg(), madness::archive::BaseParallelArchive< Archive >::exists(), main(), madness::profiling::TaskEvent::print_demangled(), madness::WorldMpiInterface::Recv(), SafeMPI::Intracomm::Recv(), madness::RMI::set_debug(), madness::WorldGopInterface::set_debug(), madness::WorldGopInterface::set_forbid_fence(), SafeMPI::Request::Test(), SafeMPI::Request::Test_got_lock_already(), test_in(), test_periodic(), test_periodic1(), test_periodic2(), test_periodic_bsh(), and SafeMPI::Request::Testany().
