MADNESS
0.10.1
|
Solves for the ground state of the quantum 3d harmonic oscillator. More...
Functions | |
double | energy (World &world, const real_function_3d &phi, const real_function_3d &V) |
double | guess (const coord_3d &r) |
int | main (int argc, char **argv) |
void | plot (const char *filename, const real_function_3d &f) |
double | potential (const coord_3d &r) |
Variables | |
const double | DELTA = 7.0 |
const double | L = 7.0 |
Solves for the ground state of the quantum 3d harmonic oscillator.
double energy | ( | World & | world, |
const real_function_3d & | phi, | ||
const real_function_3d & | V | ||
) |
References axis, madness::inner(), and V().
Referenced by main().
double guess | ( | const coord_3d & | r | ) |
int main | ( | int | argc, |
char ** | argv | ||
) |
References madness::BSHOperator3D(), SafeMPI::COMM_WORLD, DELTA, e(), energy(), madness::filename, madness::finalize(), guess(), madness::initialize(), L, madness::detail::norm(), madness::Function< T, NDIM >::norm2(), op(), madness::plot(), potential(), madness::print(), madness::World::rank(), madness::Function< T, NDIM >::scale(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::startup(), thresh, madness::Function< T, NDIM >::truncate(), madness::NonlinearSolverND< NDIM >::update(), V(), and madness::wall_time().
void plot | ( | const char * | filename, |
const real_function_3d & | f | ||
) |
References madness::f, madness::filename, L, lo, and madness::plot_line().
double potential | ( | const coord_3d & | r | ) |
References DELTA.
Referenced by apply_potential(), madness::GTHPseudopotential< Q >::apply_potential(), MiniDFT::apply_potential(), madness::GTHPseudopotential< Q >::apply_potential_simple(), madness::Solver< T, NDIM >::build_fock_matrix(), compute_energy(), compute_fock_matrix(), DF::diagonalize(), madness::Znemo::hcore_guess(), madness::Solver< T, NDIM >::initial_guess(), madness::SCF::initial_guess(), madness::CCIntermediatePotentials::insert(), main(), DF::make_fermi_potential(), DF::make_gaussian_potential(), madness::Solver< T, NDIM >::print_fock_matrix_eigs(), madness::Solver< T, NDIM >::print_potential_matrix_eigs(), test_converged_function(), test_convergence(), and test_slater_exchange().
const double DELTA = 7.0 |
Referenced by main(), and potential().