testpercoul.cc File Reference

#include <madness/mra/mra.h>
#include <madness/mra/mw.h>
#include <madness/mra/operator.h>
#include <madness/chem/potentialmanager.h>

Include dependency graph for testpercoul.cc:

Functions
template<typename T , std::size_t NDIM>
void	filter_moments_inplace (madness::Function< T, NDIM > &f, const int k, const bool fence=true)
	Filter the moments of a function.
static double	gdiffuse_000_func3d (const madness::coord_3d &r)
	diffuse gaussian (a=1) at 0,0,0
static double	gdiffuse_001_func3d (const madness::coord_3d &r)
	diffuse gaussian (a=1) at 0,0,1
static double	gdiffuse_00m1_func3d (const madness::coord_3d &r)
	diffuse gaussian (a=1) at 0,0,-1
static double	gtight_000_func3d (const madness::coord_3d &r)
	tight gaussian (a=1e4) at 0,0,0
static double	gtight_00m1_func3d (const madness::coord_3d &r)
	tight gaussian (a=1e4) at 0,0,-1
template<std::size_t Axis, std::size_t K = 1>
static double	kth_moment_func3d (const madness::coord_3d &r)
	K-th moment function along Axis, w.r.t to the center of the cell
int	main (int argc, char **argv)
static double	r2_func3d (const madness::coord_3d &r)
	spheropole (spherical second moment) function w.r.t the center of the cell
static double	unit_func3d (const madness::coord_3d &r)
	unit-normalized constant

Variables
const int	L = 18
const int	Lx = L
const int	Ly = L
const int	Lz = L

Function Documentation

filter_moments_inplace()

template<typename T , std::size_t NDIM>

void filter_moments_inplace	(	madness::Function< T, NDIM > &	f,
		const int	k,
		const bool	fence = true
	)

Filter the moments of a function.

Parameters

[in,out]	f	on entry: a function to filter; on exit: function with Cartesian moments up to (and including) order k zeroed out
[in]	k	the maximum order of Cartesian moments to zero out
[in]	fence	if true, synchronize the function's world after filtering (default: true); since this is an in-place operation, only set fence=false when you know there are no pending readers of f

References f, k, MADNESS_EXCEPTION, and NDIM.

gdiffuse_000_func3d()

static double gdiffuse_000_func3d ( const madness::coord_3d &  r )

static

diffuse gaussian (a=1) at 0,0,0

References pow().

Referenced by main().

gdiffuse_001_func3d()

static double gdiffuse_001_func3d ( const madness::coord_3d &  r )

static

diffuse gaussian (a=1) at 0,0,1

References pow().

Referenced by main().

gdiffuse_00m1_func3d()

static double gdiffuse_00m1_func3d ( const madness::coord_3d &  r )

static

diffuse gaussian (a=1) at 0,0,-1

References pow().

Referenced by main().

gtight_000_func3d()

static double gtight_000_func3d ( const madness::coord_3d &  r )

static

tight gaussian (a=1e4) at 0,0,0

References pow().

Referenced by main().

gtight_00m1_func3d()

static double gtight_00m1_func3d ( const madness::coord_3d &  r )

static

tight gaussian (a=1e4) at 0,0,-1

References pow().

Referenced by main().

kth_moment_func3d()

template<std::size_t Axis, std::size_t K = 1>

static double kth_moment_func3d ( const madness::coord_3d &  r )

static

K-th moment function along Axis, w.r.t to the center of the cell

References madness::FunctionDefaults< NDIM >::get_cell(), K(), MADNESS_ASSERT, and pow().

main()

int main	(	int	argc,
		char **	argv
	)

References std::abs(), apply(), check(), copy(), cpu_time(), d, e(), error(), madness::FunctionFactory< T, NDIM >::f(), f, madness::finalize(), gdiffuse_000_func3d(), gdiffuse_001_func3d(), gdiffuse_00m1_func3d(), madness::SeparatedConvolution< Q, NDIM >::get_ops(), madness::SeparatedConvolution< Q, NDIM >::get_range(), madness::SeparatedConvolution< Q, NDIM >::get_rank(), gtight_000_func3d(), gtight_00m1_func3d(), madness::Tensor< T >::has_data(), madness::FunctionFactory< T, NDIM >::initial_level(), initialize(), k, L, Lx, Ly, Lz, MADNESS_ASSERT, mu, madness::nonlinear_vector_solver(), madness::SeparatedConvolution< Q, NDIM >::norm(), oi, op(), madness::OT_G12, p(), print(), madness::Function< T, NDIM >::print_tree(), r2_func3d(), madness::SeparatedConvolution< Q, NDIM >::set_domain_periodicity(), madness::FunctionFactory< T, NDIM >::special_points(), Fcwf::truncate(), madness::Function< T, NDIM >::truncate(), unit(), unit_func3d(), v, and x0.

r2_func3d()

static double r2_func3d ( const madness::coord_3d &  r )

static

spheropole (spherical second moment) function w.r.t the center of the cell

References madness::FunctionDefaults< NDIM >::get_cell().

Referenced by main().

unit_func3d()

static double unit_func3d ( const madness::coord_3d &  r )

static

unit-normalized constant

References L.

Referenced by main().

Variable Documentation

L

const int L = 18

Referenced by main(), and unit_func3d().

Lx

const int Lx = L

Referenced by main().

Ly

const int Ly = L

Referenced by main().

Lz

const int Lz = L

Referenced by main().