MADNESS 0.10.1
|
#include <fstream>
#include <iostream>
#include <madness/mra/mra.h>
#include <madness/mra/operator.h>
Functions | |
std::tuple< double, double, double > | compute_energy (World &world, real_function_3d &Vnuc, real_function_3d &psi) |
static double | guess (const coord_3d &r) |
void | iterate (World &world, real_function_3d &V, real_function_3d &mask, real_function_3d &psi, double &eps) |
int | main (int argc, char **argv) |
double | mask1 (double x) |
static double | mask3 (const coord_3d &ruser) |
void | run (World &world) |
static double | V (const coord_3d &r) |
Variables | |
static const double | F =0.0 |
static const long | k = 8 |
static const double | L = 32.0 |
static const double | thresh = 1e-7 |
std::tuple< double, double, double > compute_energy | ( | World & | world, |
real_function_3d & | Vnuc, | ||
real_function_3d & | psi | ||
) |
References axis, madness::inner(), psi(), madness::square(), and madness::Function< T, NDIM >::truncate().
Referenced by run().
|
static |
References madness::constants::pi.
Referenced by run().
void iterate | ( | World & | world, |
real_function_3d & | V, | ||
real_function_3d & | mask, | ||
real_function_3d & | psi, | ||
double & | eps | ||
) |
int main | ( | int | argc, |
char ** | argv | ||
) |
|
inline |
Referenced by mask3().
|
static |
References lo, mask1(), and madness::user_to_sim().
Referenced by run().
void run | ( | World & | world | ) |
References compute_energy(), guess(), iterate(), k, L, mask, mask3(), madness::print(), psi(), madness::World::rank(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::FunctionDefaults< NDIM >::set_truncate_mode(), madness::square(), thresh, madness::Function< T, NDIM >::truncate(), and V().
Referenced by main().
|
static |
|
static |
Referenced by run().
|
static |
Referenced by run().