dielectric_external_field.cc File Reference

Example solution of Laplace's equations for dielectric sphere in an external field. More...

#include <madness/mra/mra.h>
#include <madness/mra/operator.h>
#include <madness/mra/funcplot.h>
#include <madness/tensor/solvers.h>
#include "molecularmask.h"
#include <madness/mra/nonlinsol.h>
#include <madness/constants.h>
#include <vector>

Include dependency graph for dielectric_external_field.cc:

Functions
double	exact_function (const coord_3d &x)
int	main (int argc, char **argv)

Variables
const double	delta = 0.65*sigma
const double	epsilon_0 = 100.0
const double	epsilon_1 = 1.0
const double	Ez = 0.05
const int	k = 6
const double	L = 50
const double	R = 20.0
const double	sigma = 0.3
const double	thresh = 1e-4

Detailed Description

Example solution of Laplace's equations for dielectric sphere in an external field.

Function Documentation

exact_function()

double exact_function

(

const coord_3d &

x

)

References epsilon_0, epsilon_1, Ez, pow(), and R.

Referenced by main().

main()

int main	(	int	argc,
		char **	argv
	)

References madness::_(), madness::BC_FREE, SafeMPI::COMM_WORLD, madness::CoulombOperator(), delta, epsilon_0, epsilon_1, exact_function(), Ez, madness::finalize(), madness::initialize(), k, L, lo, madness::norm2(), op(), madness::constants::pi, madness::plot_line(), madness::plotdx(), madness::print(), R, madness::Function< T, NDIM >::scale(), madness::Tensor< T >::scale(), madness::FunctionDefaults< NDIM >::set_bc(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::FunctionDefaults< NDIM >::set_truncate_on_project(), sigma, madness::startup(), thresh, madness::Function< T, NDIM >::trace(), madness::Function< T, NDIM >::truncate(), madness::truncate(), u(), and madness::NonlinearSolverND< NDIM >::update().

Variable Documentation

delta

const double delta = 0.65*sigma

Referenced by cfrac(), madness::Function< T, NDIM >::eval_cube(), madness::gauss_legendre_numeric(), madness::Zcis::iterate(), madness::CC2::iterate_pair(), madness::TDHF::iterate_vectors(), main(), madness::TDHF::make_cis_matrix(), madness::TDHF::orthonormalize(), CFFT::Perform(), CalculationParameters::print_info(), CalculationParameters::read_file(), CalculationParameters::serialize(), madness::CC2::solve_cc2(), madness::CC2::solve_mp2_coupled(), test_convergence(), and madness::Solver< T, NDIM >::test_periodicity().

epsilon_0

const double epsilon_0 = 100.0

Referenced by exact_function(), and main().

epsilon_1

const double epsilon_1 = 1.0

Referenced by exact_function(), and main().

Ez

const double Ez = 0.05

Referenced by exact_function(), and main().

k

const int k = 6

Referenced by main().

L

const double L = 50

Referenced by main().

R

const double R = 20.0

Referenced by exact_function(), and main().

sigma

const double sigma = 0.3

Referenced by main().

thresh

const double thresh = 1e-4

Referenced by main().