test6.cc File Reference

test various functionality for 6d functions More...

#include <madness/mra/mra.h>
#include <madness/world/test_utilities.h>

Include dependency graph for test6.cc:

Functions
int	check (bool b, const std::string message)
int	check_small (const double val, const double eps, const std::string message)
static double	gauss_3d (const coord_3d &r)
static double	gauss_plus_one_3d (const coord_3d &r)
static double	gauss_plus_tight_3d (const coord_3d &r)
bool	is_large (const double &val, const double &eps)
bool	is_small (const double &val, const double &eps)
template<size_t NDIM>
void	load_function (World &world, Function< double, NDIM > &pair, const std::string name)
int	main (int argc, char **argv)
std::string	ok (const bool b)
static double	one_3d (const coord_3d &r)
static double	one_6d (const coord_6d &r)
template<size_t NDIM>
void	save_function (World &world, Function< double, NDIM > &pair, const std::string name)
int	test (World &world, const long &k, const double thresh)
int	test_add (World &world, const long &k, const double thresh)
	test f(1,2) + g(1,2) for both f and g reconstructed More...
int	test_convolution (World &world, const long &k, const double thresh)
	test 6D convolution More...
int	test_exchange (World &world, const long &k, const double thresh)
	test f(1,2) + g(1,2) for both f and g reconstructed More...
template<typename T , std::size_t NDIM>
int	test_hartree_product (World &world, const long &k, const double thresh)
	test f(1,2) = g(1) h(2) More...
int	test_inner (World &world, const long &k, const double thresh)
	test inner product using redundant wave functions More...
int	test_multiply (World &world, const long &k, const double thresh)
	test f(1,2)*g(1) More...
int	test_replicate (World &world, const long &k, const double thresh)
template<typename T , std::size_t NDIM>
int	test_vector_composite (World &world, const long &k, const double thresh)
static double	tightgauss_3d (const coord_3d &r)
static double	V (const Vector< double, 3 > &r)
static double	zero_3d (const coord_3d &r)

Detailed Description

test various functionality for 6d functions

Function Documentation

check()

int check	(	bool	b,
		const std::string	message
	)

References b, ok(), and madness::print().

Referenced by test_add().

check_small()

int check_small	(	const double	val,
		const double	eps,
		const std::string	message
	)

References is_small(), ok(), and madness::print().

Referenced by test_add().

gauss_3d()

static double gauss_3d ( const coord_3d &  r )

static

References madness::detail::norm(), and madness::r2().

Referenced by gauss_plus_one_3d(), gauss_plus_tight_3d(), test(), test_add(), test_convolution(), test_exchange(), test_inner(), test_multiply(), and test_replicate().

gauss_plus_one_3d()

static double gauss_plus_one_3d ( const coord_3d &  r )

static

References gauss_3d(), and one_3d().

Referenced by test_add().

gauss_plus_tight_3d()

static double gauss_plus_tight_3d ( const coord_3d &  r )

static

References gauss_3d(), and tightgauss_3d().

Referenced by test_add().

is_large()

bool is_large	(	const double &	val,
		const double &	eps
	)

is_small()

bool is_small	(	const double &	val,
		const double &	eps
	)

Referenced by check_small(), test_convolution(), test_exchange(), test_hartree_product(), test_inner(), and test_multiply().

load_function()

template<size_t NDIM>

void load_function	(	World &	world,
		Function< double, NDIM > &	pair,
		const std::string	name
	)

References madness::Function< T, NDIM >::k(), madness::name(), madness::print(), madness::Function< T, NDIM >::print_size(), madness::World::rank(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), and madness::Function< T, NDIM >::thresh().

main()

int main	(	int	argc,
		char **	argv
	)

References madness::arg(), madness::error(), madness::WorldGopInterface::fence(), madness::finalize(), madness::World::gop, madness::initialize(), k, L, MADNESS_EXCEPTION, ok(), madness::print(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_tensor_type(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::startup(), test_add(), test_convolution(), madness::test_exchange(), test_inner(), test_multiply(), test_replicate(), thresh, madness::TT_2D, madness::TT_FULL, and madness::TT_TENSORTRAIN.

ok()

std::string ok

(

const bool

b

)

References b.

Referenced by check(), check_small(), main(), test(), test_apply_push_1d(), test_basic(), test_conv(), test_conversion(), test_convolution(), test_coulomb(), test_diff(), test_exchange(), test_inner(), test_io(), test_math(), test_multiply(), test_op(), test_plot(), test_qm(), madness::WorldAmInterface::SendReq::TestAndFree(), and testbsh().

one_3d()

static double one_3d ( const coord_3d &  r )

static

Referenced by gauss_plus_one_3d(), and test_add().

one_6d()

static double one_6d ( const coord_6d &  r )

static

Referenced by test_add().

save_function()

template<size_t NDIM>

void save_function	(	World &	world,
		Function< double, NDIM > &	pair,
		const std::string	name
	)

References madness::name(), madness::print(), madness::Function< T, NDIM >::print_size(), and madness::World::rank().

test()

int test	(	World &	world,
		const long &	k,
		const double	thresh
	)

References diff(), madness::error(), madness::GenTensor< T >::full_tensor_copy(), gauss_3d(), madness::hartree_product(), ij(), madness::print(), and s0.

test_add()

int test_add	(	World &	world,
		const long &	k,
		const double	thresh
	)

test f(1,2) + g(1,2) for both f and g reconstructed

References madness::Function< T, NDIM >::add_scalar(), check(), check_small(), madness::Function< T, NDIM >::compress(), madness::copy(), madness::Function< T, NDIM >::err(), madness::error(), madness::FunctionFactory< T, NDIM >::f(), madness::f, gauss_3d(), gauss_plus_one_3d(), gauss_plus_tight_3d(), madness::gaxpy_oop(), madness::gaxpy_oop_reconstructed(), madness::hartree_product(), madness::Function< T, NDIM >::is_compressed(), madness::Function< T, NDIM >::norm2(), madness::norm2(), one_3d(), one_6d(), madness::print(), madness::r2(), madness::Function< T, NDIM >::reconstruct(), madness::Function< T, NDIM >::scale(), thresh, tightgauss_3d(), and zero_3d().

Referenced by main().

test_convolution()

int test_convolution	(	World &	world,
		const long &	k,
		const double	thresh
	)

test 6D convolution

References a, madness::copy(), diff(), madness::WorldGopInterface::fence(), gauss_3d(), madness::World::gop, madness::hartree_product(), madness::inner(), is_small(), madness::detail::norm(), madness::Function< T, NDIM >::norm2(), ok(), madness::print(), madness::World::rank(), thresh, v, and V().

Referenced by main().

test_exchange()

int test_exchange	(	World &	world,
		const long &	k,
		const double	thresh
	)

test f(1,2) + g(1,2) for both f and g reconstructed

References madness::CoulombOperator(), diff(), madness::f, f2, gauss_3d(), madness::hartree_product(), is_small(), madness::multiply(), madness::detail::norm(), madness::Function< T, NDIM >::norm2(), ok(), madness::print(), madness::Function< T, NDIM >::print_size(), madness::World::rank(), and thresh.

test_hartree_product()

template<typename T , std::size_t NDIM>

int test_hartree_product	(	World &	world,
		const long &	k,
		const double	thresh
	)

test f(1,2) = g(1) h(2)

References madness::test_output::checkpoint(), madness::test_output::end(), madness::FunctionFactory< T, NDIM >::f(), madness::hartree_product(), ij(), madness::inner(), is_small(), NDIM, pow(), madness::print(), madness::r2(), madness::FunctionDefaults< NDIM >::set_tensor_type(), thresh, madness::TT_2D, and madness::TT_FULL.

test_inner()

int test_inner	(	World &	world,
		const long &	k,
		const double	thresh
	)

test inner product using redundant wave functions

References a1, a2, f1, f2, gauss_3d(), madness::hartree_product(), madness::inner(), is_small(), madness::detail::norm(), ok(), madness::print(), madness::World::rank(), and thresh.

Referenced by main().

test_multiply()

int test_multiply	(	World &	world,
		const long &	k,
		const double	thresh
	)

test f(1,2)*g(1)

References madness::copy(), madness::TwoElectronFactory< T, NDIM >::f12(), madness::Function< T, NDIM >::fill_tree(), madness::CompositeFactory< T, NDIM, MDIM >::g12(), madness::TwoElectronFactory< T, NDIM >::gamma(), gauss_3d(), is_small(), madness::CompositeFactory< T, NDIM, MDIM >::ket(), madness::load_function(), madness::multiply(), madness::norm2(), ok(), madness::CompositeFactory< T, NDIM, MDIM >::particle1(), madness::CompositeFactory< T, NDIM, MDIM >::particle2(), madness::print(), madness::Function< T, NDIM >::print_size(), madness::Function< T, NDIM >::reduce_rank(), madness::save_function(), thresh, madness::TwoElectronFactory< T, NDIM >::thresh(), madness::Function< T, NDIM >::truncate(), and madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle1().

Referenced by main().

test_replicate()

int test_replicate	(	World &	world,
		const long &	k,
		const double	thresh
	)

References madness::Function< T, NDIM >::distribute(), gauss_3d(), madness::Function< T, NDIM >::get_pmap(), and madness::Function< T, NDIM >::replicate().

Referenced by main().

test_vector_composite()

template<typename T , std::size_t NDIM>

int test_vector_composite	(	World &	world,
		const long &	k,
		const double	thresh
	)

test construction with a single pair of functions

test construction with a single pair of functions and eri

test construction with a vector of functions:

References std::abs(), madness::test_output::checkpoint(), madness::copy(), madness::test_output::end(), madness::FunctionFactory< T, NDIM >::f(), madness::Function< T, NDIM >::fill_cuspy_tree(), madness::Function< T, NDIM >::fill_tree(), madness::CompositeFactory< T, NDIM, MDIM >::g12(), madness::inner(), madness::FunctionFactory< T, NDIM >::is_on_demand(), madness::CompositeFactory< T, NDIM, MDIM >::ket(), MADNESS_CHECK, NDIM, madness::Function< T, NDIM >::norm2(), madness::norm2(), madness::CompositeFactory< T, NDIM, MDIM >::particle1(), madness::CompositeFactory< T, NDIM, MDIM >::particle2(), pow(), madness::print(), madness::r2(), madness::FunctionDefaults< NDIM >::set_tensor_type(), thresh, and madness::TT_2D.

tightgauss_3d()

static double tightgauss_3d ( const coord_3d &  r )

static

References madness::detail::norm(), and madness::r2().

Referenced by gauss_plus_tight_3d(), and test_add().

V()

static double V ( const Vector< double, 3 > &  r )

static

References e().

Referenced by test_convolution().

zero_3d()

static double zero_3d ( const coord_3d &  r )

static

Referenced by test_add().