MADNESS 0.10.1
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Example solution of Poisson's equation in a dielectric (polarizable) medium. 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>
Macros | |
#define | TIME(MSG, X) |
Functions | |
double | charge_function (const coord_3d &r) |
double | exact_function (const coord_3d &x) |
int | main (int argc, char **argv) |
double | reciprocal (double x) |
Variables | |
const double | epsilon_0 = 1.0 |
const double | epsilon_1 =10.0 |
const int | k = 6 |
const double | L = 5 |
const double | R = 2.0 |
const double | sigma = 0.1 |
const double | thresh = 1e-4 |
double | XXstart |
Example solution of Poisson's equation in a dielectric (polarizable) medium.
#define TIME | ( | MSG, | |
X | |||
) |
double charge_function | ( | const coord_3d & | r | ) |
References madness::constants::pi, and pow().
Referenced by main().
double exact_function | ( | const coord_3d & | x | ) |
int main | ( | int | argc, |
char ** | argv | ||
) |
References madness::_(), madness::BC_FREE, charge_function(), SafeMPI::COMM_WORLD, madness::CoulombOperator(), epsilon_0, epsilon_1, exact, exact_function(), madness::f, madness::finalize(), madness::initialize(), k, L, lo, madness::norm2(), op(), madness::constants::pi, madness::plot_line(), madness::plotdx(), madness::print(), R, reciprocal(), madness::FunctionDefaults< NDIM >::set_bc(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_initial_level(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::FunctionDefaults< NDIM >::set_truncate_on_project(), sigma, madness::startup(), thresh, TIME, madness::Function< T, NDIM >::trace(), madness::truncate(), u(), and madness::Function< T, NDIM >::unaryop().
double reciprocal | ( | double | x | ) |
Referenced by main().
const double epsilon_0 = 1.0 |
Referenced by exact_function(), and main().
const double epsilon_1 =10.0 |
Referenced by exact_function(), and main().
const int k = 6 |
Referenced by main().
const double L = 5 |
Referenced by main().
const double R = 2.0 |
Referenced by exact_function(), and main().
const double sigma = 0.1 |
double XXstart |