MADNESS  0.10.1
Functions | Variables
nonlinschro.cc File Reference

Solves 1D nonlinear Schrödinger equation. More...

#include <madness/mra/mra.h>
#include <madness/mra/operator.h>
#include <algorithm>
Include dependency graph for nonlinschro.cc:

Functions

static double guess (const coord_1d &r)
 
void iterate (World &world, real_function_1d &psi)
 
int main (int argc, char **argv)
 
real_function_1d make_potential (World &world, const real_function_1d &rho)
 
double munge (double x, double xmin, double xmax)
 
template<typename T >
static void Vdynamic (const Key< 1 > &key, Tensor< T > &t)
 
static double Vstatic (const coord_1d &r)
 

Variables

static const double a = 0.125
 
static const double b = 1.0
 
static const double c = 1.0
 
static const double d = 1.0
 
static double eta = eta_end*1024
 
static const double eta_end = 1e-5
 
static const long k = 10
 
static const double L = 10.0
 
static const double ntol = thresh*10.0
 
static const double thresh = 1e-8
 
static const double vasymp = c/std::pow(eta_end,1.0/3.0)
 
static const double vshift = -3.0
 

Detailed Description

Solves 1D nonlinear Schrödinger equation.

Function Documentation

◆ guess()

static double guess ( const coord_1d r)
static

Referenced by main().

◆ iterate()

void iterate ( World world,
real_function_1d psi 
)

◆ main()

int main ( int  argc,
char **  argv 
)

◆ make_potential()

real_function_1d make_potential ( World world,
const real_function_1d rho 
)

◆ munge()

double munge ( double  x,
double  xmin,
double  xmax 
)

◆ Vdynamic()

template<typename T >
static void Vdynamic ( const Key< 1 > &  key,
Tensor< T > &  t 
)
static

◆ Vstatic()

static double Vstatic ( const coord_1d r)
static

References a, b, and vshift.

Referenced by make_potential().

Variable Documentation

◆ a

const double a = 0.125
static

Referenced by Ansatz0::Ansatz0(), madness::commandlineparser::commandlineparser(), Fred::Fred(), madness::GradientalGaussSlater::GradientalGaussSlater(), madness::LinearSlater::LinearSlater(), madness::poly4erfc::poly4erfc(), madness::Polynomial< N >::Polynomial(), madness::Slater::Slater(), Xi::Xi(), madness::poly4erfc::a_param(), std::abs(), madness::add(), madness::aligned_add(), madness::aligned_axpy(), madness::aligned_sub(), madness::aligned_zero(), madness::CCPairFunction< T, NDIM >::apply(), madness::SCFProtocol::approx(), arithmetic_series(), madness::Polynomial< N >::b_param(), madness::Group::Impl::begin(), beta_func(), madness::bgq_mtxmq_padded(), C(), Calculation::calc_deriv(), madness::Displacements< NDIM >::cmp_keys(), madness::Displacements< NDIM >::cmp_keys_periodicsum(), madness::LoadBalanceDeux< NDIM >::compare(), madness::PNO::compute_cispd_correction_es(), madness::PNO::compute_cispd_correction_gs(), madness::PNO::compute_cispd_fluctuation_matrix(), compute_energy(), madness::max_of_x_1_smooth::compute_factor(), madness::MP2::compute_gQf(), madness::CC2::compute_local_coupling(), madness::Zcis::compute_potentials(), madness::PNO::compute_projected_mp2_energies(), madness::F12Potentials::compute_regularized_fluctuation_matrix(), madness::max_of_x_1_smooth::compute_tightness(), madness::F12Potentials::compute_xyab_integrals(), madness::SVDTensor< T >::concatenate(), madness::concatenate_columns(), madness::concatenate_rows(), madness::MyPmap< D >::costmapcmp(), madness::create_nuclear_correlation_factor(), madness::cycle_count(), delsqfred(), dgeev_(), dgelss_(), dgeqrf_(), dgesvd_(), dggev_(), distance(), madness::distance(), madness::distributed_localize_PM(), do_test_random(), dorgqr_(), madness::dot(), dot_product(), drot(), madness::drot(), drot3(), madness::dsmoothed_potential(), dsyev_(), dsygv_(), madness::Group::Impl::end(), madness::WorldProfileEntry::exclusivebytcmp(), madness::WorldProfileEntry::exclusivecmp(), madness::fast_transpose(), fred(), gaussian(), gaussian1(), gaussian2(), gaussian3(), gaussian_energy(), madness::ScalarResult< T >::gaxpy(), madness::gaxpy(), madness::FunctionSpace< T, NDIM >::gaxpy(), madness::Tensor< T >::gaxpy(), madness::VectorOfFunctionsSpace< T, VDIM, FDIM >::gaxpy(), madness::VectorSpace< T, NDIM >::gaxpy(), gaxpy1(), madness::gaxpy_oop(), madness::gelss(), madness::cblas::gemm(), geometric_series(), madness::gesv(), madness::gesvp(), Foo::get0(), Foo::get0c(), Foo::get0f(), Foo::get1(), Foo::get1c(), Foo::get2(), Foo::get2c(), Foo::get3(), Foo::get3c(), Foo::get4(), Foo::get4c(), Foo::get5(), Foo::get5c(), get_coeffs_pw(), AnsatzBase::get_cusp_a(), Foo::getbuf0(), Foo::getbuf0c(), guess(), madness::hash_value(), hashbig(), hashlittle(), hashlittle2(), hashword(), madness::detail::htons_x(), TTT::hugh(), madness::WorldProfileEntry::inclusivebytcmp(), madness::WorldProfileEntry::inclusivecmp(), madness::inner(), inner(), inner_func(), madness::CCPairFunction< T, NDIM >::inner_internal(), madness::inverse(), is_like(), jacobi(), TTT::jody(), madness::archive::ArchiveLoadImpl< ParallelInputArchive< archiveT >, CCPairFunction< T, NDIM > >::load(), madness::Localizer::localize_new(), madness::SystolicPMOrbitalLocalize::localize_PM_ij(), LSQ(), main(), madness::Zcis::make_CIS_matrix(), madness::TDHF::make_cis_matrix(), madness::TDHF::make_guess_from_initial_diagonalization(), madness::MP2::make_Uphi0(), matrix_inner(), madness::WorldGopInterface::max(), madness::WorldGopInterface::min(), mTxm(), madness::mTxm(), mTxm_dgemm(), madness::mTxm_reference(), mTxm_tune(), mTxm_zgemm(), mTxmq(), mtxmq(), madness::mTxmq(), madness::mTxmq_padding(), madness::mTxmq_reference(), madness::mTxmT(), madness::mTxmT_reference(), madness::mul(), madness::mul_sparse(), madness::SeparatedConvolution< Q, NDIM >::munorm2_ns(), madness::mxm(), madness::mxm_reference(), madness::mxmT(), madness::mxmT_reference(), madness::my_conj_transpose(), madness::Hash_private::HashIterator< hashT >::operator!=(), madness::TensorIterator< T, Q, R >::operator!=(), madness::operator!=(), Xi::operator()(), gaussian::operator()(), QMtest::operator()(), GaussianPotential::operator()(), ncf_cusp::operator()(), Sigma_ncf_cusp::operator()(), MatrixOperator::operator()(), madness::WorldSumOp< T >::operator()(), madness::WorldMultOp< T >::operator()(), madness::WorldMaxOp< T >::operator()(), madness::WorldAbsMaxOp< T >::operator()(), madness::WorldMinOp< T >::operator()(), madness::WorldAbsMinOp< T >::operator()(), madness::WorldBitAndOp< T >::operator()(), madness::WorldBitOrOp< T >::operator()(), madness::WorldBitXorOp< T >::operator()(), madness::WorldLogicAndOp< T >::operator()(), madness::WorldLogicOrOp< T >::operator()(), slater::operator()(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::operator()(), madness::FunctionImpl< T, NDIM >::do_err_box< opT >::operator()(), madness::FunctionImpl< T, NDIM >::do_norm2sq_local::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 >::do_inner_ext_local_ffi::operator()(), madness::operator*(), madness::LowRankFunction< T, NDIM, LDIM >::operator*(), operator*(), F::operator*(), Fcwf::operator*(), madness::LowRankFunction< T, NDIM, LDIM >::operator*=(), madness::response_space::operator*=(), madness::response_space::operator+=(), madness::X_space::operator+=(), madness::operator<(), operator<<(), madness::operator<<(), madness::operators::operator<<(), A::operator=(), madness::Hash_private::HashIterator< hashT >::operator==(), operator==(), madness::TensorIterator< T, Q, R >::operator==(), madness::operator==(), madness::TDHF::oscillator_strength_length(), madness::TDHF::oscillator_strength_velocity(), plot(), madness::plot_line(), madness::XCfunctional::polyn(), potrf_(), pow(), madness::print_seq(), DF::print_sizes(), pstrf_(), Q(), q(), ran_fill(), madness::Zcis::read_guess(), madness::Znemo::read_reference(), madness::readmat(), real(), madness::permutation::remove_duplicates(), Worker::run(), Peasant::run(), madness::GradientalGaussSlater::S(), madness::Slater::S(), madness::poly4erfc::S(), madness::Polynomial< N >::S(), TTT::sara(), madness::Zcis::save_guess(), madness::Znemo::save_orbitals(), madness::FunctionNode< T, NDIM >::scale(), Fcwf::scale(), A::set(), Fred::set(), madness::smoothed_potential(), madness::GradientalGaussSlater::Sp(), madness::Slater::Sp(), madness::Polynomial< N >::Sp(), slymer::Gaussian_Functor::special_level(), madness::GradientalGaussSlater::Spp_div_S(), madness::Slater::Spp_div_S(), madness::poly4erfc::Spp_div_S(), madness::Polynomial< N >::Spp_div_S(), madness::GradientalGaussSlater::Sr_div_S(), madness::LinearSlater::Sr_div_S(), madness::Slater::Sr_div_S(), madness::poly4erfc::Sr_div_S(), madness::Polynomial< N >::Sr_div_S(), madness::GradientalGaussSlater::Srr_div_S(), madness::LinearSlater::Srr_div_S(), madness::Slater::Srr_div_S(), madness::Polynomial< N >::Srr_div_S(), madness::GradientalGaussSlater::Srrr_div_S(), madness::LinearSlater::Srrr_div_S(), madness::Slater::Srrr_div_S(), madness::Polynomial< N >::Srrr_div_S(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< archiveT >, CCPairFunction< T, NDIM > >::store(), madness::sub(), madness::WorldGopInterface::sum(), madness::svd(), madness::svd_result(), madness::sygvp(), madness::PNO::t_solve(), tbar_OMEGA(), test(), test0(), test2(), Test5(), test6(), test_accessors(), TEST_CASE(), madness::test_cholesky(), test_compress(), test_constructor(), test_conversion(), test_convolution(), test_coverage(), test_full_rank_functor(), madness::test_gelss(), madness::test_gesv(), test_in(), test_inner(), test_loose1(), test_math(), test_out(), test_partial_inner_3d(), test_partial_inner_6d(), test_projector(), test_qm(), test_random(), madness::test_rnlp(), madness::test_rr_cholesky(), test_scalar_multiplication(), madness::test_svd(), test_swap_particles(), madness::test_syev(), madness::test_sygv(), test_thread(), test_tight_diffuse(), test_time(), test_truncation(), testNavierStokes(), timer(), transform(), trantimer(), truncate(), madness::GradientalGaussSlater::U2X_spherical(), madness::Slater::U2X_spherical(), madness::Polynomial< N >::U2X_spherical(), madness::PNO::update_pno(), updatex(), and Vstatic().

◆ b

const double b = 1.0
static

Referenced by Fred::Fred(), madness::X_vector::X_vector(), DirichletCondIntOp::action(), RealFuncLinearOp::action(), ComplexFuncLinearOp::action(), madness::add(), madness::aligned_add(), madness::aligned_axpy(), madness::aligned_sub(), madness::CCPairFunction< T, NDIM >::apply(), madness::SCFProtocol::approx(), madness::bgq_mtxmq_padded(), Calculation::calc_optimal_coeffs(), check(), madness::Displacements< NDIM >::cmp_keys(), madness::Displacements< NDIM >::cmp_keys_periodicsum(), madness::LoadBalanceDeux< NDIM >::compare(), madness::PNO::compute_cispd_correction_es(), madness::PNO::compute_cispd_correction_gs(), madness::PNO::compute_cispd_fluctuation_matrix(), madness::max_of_x_1_smooth::compute_factor(), madness::PNO::compute_projected_mp2_energies(), madness::F12Potentials::compute_regularized_fluctuation_matrix(), madness::max_of_x_1_smooth::compute_tightness(), madness::F12Potentials::compute_xyab_integrals(), madness::concatenate_columns(), madness::concatenate_rows(), madness::MyPmap< D >::costmapcmp(), cplxfunc0(), cplxfunc1(), cplxfunc2(), cplxvec0(), cplxvec1(), cplxvec2(), madness::TensorTrain< T >::decompose(), dgelss_(), dggev_(), distance(), madness::distance(), madness::do_vtk_plots(), madness::dot(), dot_product(), drot(), madness::drot(), drot3(), dsygv_(), madness::WorldProfileEntry::exclusivebytcmp(), madness::WorldProfileEntry::exclusivecmp(), madness::fast_transpose(), fastsum_oscillating(), madness::ScalarResult< T >::gaxpy(), madness::gaxpy(), madness::FunctionSpace< T, NDIM >::gaxpy(), madness::Tensor< T >::gaxpy(), madness::VectorOfFunctionsSpace< T, VDIM, FDIM >::gaxpy(), madness::VectorSpace< T, NDIM >::gaxpy(), gaxpy1(), madness::gaxpy_oop(), madness::gelss(), madness::cblas::gemm(), madness::gesv(), madness::gesvp(), B::get(), get_coeffs_pw(), madness::GMRES(), ground_exchange(), hashbig(), hashlittle(), hashlittle2(), hashword(), madness::WorldProfileEntry::inclusivebytcmp(), madness::WorldProfileEntry::inclusivecmp(), madness::inner(), inner(), inner_func(), madness::CCPairFunction< T, NDIM >::inner_internal(), is_like(), TTT::jody(), KAIN(), madness::KAIN(), madness::archive::ArchiveLoadImpl< Archive, std::vector< bool, Alloc > >::load(), madness::archive::ArchiveLoadImpl< ParallelInputArchive< archiveT >, CCPairFunction< T, NDIM > >::load(), madness::MutexFair::lock(), LSQ(), main(), madness::TDHF::make_cis_matrix(), madness::Displacements< NDIM >::make_disp_periodicsum(), madness::Zcis::make_guess(), madness::TDHF::make_guess_from_initial_diagonalization(), matrix_inner(), molresponseExchange(), mTxm(), madness::mTxm(), mTxm_dgemm(), madness::mTxm_reference(), mTxm_tune(), mTxm_zgemm(), mTxmq(), mtxmq(), madness::mTxmq(), madness::mTxmq_padding(), madness::mTxmq_reference(), madness::mTxmT(), madness::mTxmT_reference(), madness::mul(), madness::SeparatedConvolution< Q, NDIM >::munorm2_ns(), madness::mxm(), madness::mxm_reference(), madness::mxmT(), madness::mxmT_reference(), madness::X_space::norm2s(), ok(), madness::operator!=(), madness::WorldSumOp< T >::operator()(), madness::WorldMultOp< T >::operator()(), madness::WorldMaxOp< T >::operator()(), madness::WorldAbsMaxOp< T >::operator()(), madness::WorldMinOp< T >::operator()(), madness::WorldAbsMinOp< T >::operator()(), madness::WorldBitAndOp< T >::operator()(), madness::WorldBitOrOp< T >::operator()(), madness::WorldBitXorOp< T >::operator()(), madness::WorldLogicAndOp< T >::operator()(), madness::WorldLogicOrOp< T >::operator()(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::operator()(), madness::FunctionImpl< T, NDIM >::do_err_box< opT >::operator()(), madness::FunctionImpl< T, NDIM >::do_norm2sq_local::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 >::do_inner_ext_local_ffi::operator()(), madness::LowRankFunction< T, NDIM, LDIM >::operator+(), F::operator+=(), madness::LowRankFunction< T, NDIM, LDIM >::operator+=(), madness::response_space::operator+=(), madness::X_space::operator+=(), F::operator-(), madness::LowRankFunction< T, NDIM, LDIM >::operator-(), madness::LowRankFunction< T, NDIM, LDIM >::operator-=(), madness::CC_vecfunction::operator<(), madness::operator<(), Key::operator==(), operator==(), madness::operator==(), optimize_coeffs(), pbar_OMEGA(), plot(), madness::plot_line(), madness::XCfunctional::polyn(), pow(), madness::print_seq(), madness::DQueue< T >::push_back_with_lock(), realfunc0(), realfunc1(), realfunc2(), realvec0(), realvec1(), realvec2(), madness::permutation::remove_duplicates(), response_exchange(), response_exchange_multiworld(), madness::LinearSlater::S(), madness::Polynomial< N >::S(), TTT::sara(), B::serialize(), madness::archive::ArchiveSerializeImpl< Archive, B >::serialize(), madness::WorldAmInterface::SendReq::set(), B::set(), madness::Nemo::solve_cphf(), madness::LinearSlater::Sp(), madness::Polynomial< N >::Sp(), madness::LinearSlater::Spp_div_S(), madness::Polynomial< N >::Spp_div_S(), madness::Polynomial< N >::Sr_div_S(), madness::Polynomial< N >::Srr_div_S(), madness::Polynomial< N >::Srrr_div_S(), madness::archive::ArchiveStoreImpl< Archive, std::vector< bool, Alloc > >::store(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< archiveT >, CCPairFunction< T, NDIM > >::store(), madness::sub(), madness::sygv(), madness::PNO::t_solve(), tbar_OMEGA(), madness::Random::test(), test(), test10(), Test5(), test_batch_1D(), TEST_CASE(), test_constructor(), test_full_rank_functor(), madness::test_gelss(), madness::test_gesv(), test_in(), test_inner(), test_loose1(), test_math(), test_out(), test_partial_inner_3d(), test_partial_inner_6d(), test_projector(), test_scalar_multiplication(), madness::test_svd(), test_swap_particles(), madness::test_sygv(), test_tight_diffuse(), testNavierStokes(), timer(), madness::to_conjugate_response_matrix(), madness::to_conjugate_X_space(), madness::to_flattened_vector(), madness::to_response_matrix(), madness::to_X_space(), madness::transposeResponseMatrix(), trantimer(), madness::PNO::update_pno(), updatex(), vector_to_PQ(), Vstatic(), and madness::ConditionVariable::wait().

◆ c

const double c = 1.0
static

Referenced by Vdynamic().

◆ d

const double d = 1.0
static

Referenced by Vdynamic().

◆ eta

double eta = eta_end*1024
static

Referenced by main(), and Vdynamic().

◆ eta_end

const double eta_end = 1e-5
static

Referenced by main().

◆ k

const long k = 10
static

Referenced by main().

◆ L

const double L = 10.0
static

Referenced by main().

◆ ntol

const double ntol = thresh*10.0
static

Referenced by Vdynamic().

◆ thresh

const double thresh = 1e-8
static

Referenced by main().

◆ vasymp

const double vasymp = c/std::pow(eta_end,1.0/3.0)
static

Referenced by main().

◆ vshift

const double vshift = -3.0
static

Referenced by Vstatic().