MADNESS: madness::smooth< T, NDIM > Class Template Reference

MADNESS 0.10.1

#include <smooth.h>

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Classes
struct	inv_mask_functor
struct	mask_functor

Public Member Functions
	smooth (World &world)
	smooth (World &world, const double &box_mask_factor, const double box_mask_cutoff)
Function< T, NDIM >	cut_oscillations (const Function< T, NDIM > &f, const double &cutoff, const size_t order) const
double	gauss_norm (const double &exponent) const
Function< T, NDIM >	gaussian_smoothing (const Function< T, NDIM > &f, const double &eps=0.04, const std::string &name="nooutput") const
double	get_density_thresh () const
Function< T, NDIM >	linearize (const Function< T, NDIM > &ln_rho) const
Function< T, NDIM >	make_density_mask (const Function< T, NDIM > &density) const
Function< T, NDIM >	make_explog (const Function< T, NDIM > &f, const std::string &msg="function") const
Function< T, NDIM >	make_inv_mask (const Function< T, NDIM > &mask) const
Function< T, NDIM >	make_mask (const Function< T, NDIM > &samplef, const double &thresh) const
void	make_plots (const Function< T, NDIM > &f, const std::string &name="function") const
Function< T, NDIM >	make_sigma (const Function< T, NDIM > &density) const
Function< T, NDIM >	merge_functions (const Function< T, NDIM > &f, const Function< T, NDIM > &sf, const double &thresh) const
Function< T, NDIM >	merge_functions (const Function< T, NDIM > &f, const Function< T, NDIM > &sf, const Function< T, NDIM > &mask, const std::string &name="f") const
Function< T, NDIM >	munge_density (const Function< T, NDIM > &density) const
void	output (const std::string &msg) const
Function< T, NDIM >	smooth_density (const Function< T, NDIM > &density, const std::string &msg="function")
Function< T, NDIM >	smooth_density_from_orbitals (const std::vector< Function< T, NDIM > > &orbitals) const
Function< T, NDIM >	smooth_sigma (const Function< T, NDIM > &density)
void	test_1d () const

Private Attributes
const Function< T, NDIM >	box_mask_
Function< T, NDIM >	inv_mask_
Function< T, NDIM >	mask_
World &	world

Constructor & Destructor Documentation

◆ smooth() [1/2]

template<typename T, std::size_t NDIM>

madness::smooth< T, NDIM >::smooth ( World & world )

inline

References world.

◆ smooth() [2/2]

template<typename T, std::size_t NDIM>

madness::smooth< T, NDIM >::smooth	(	World &	world,
		const double &	box_mask_factor,
		const double	box_mask_cutoff )

inline

References world.

Member Function Documentation

◆ cut_oscillations()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::cut_oscillations	(	const Function< T, NDIM > &	f,
		const double &	cutoff,
		const size_t	order ) const

inline

References madness::f, madness::FunctionDefaults< NDIM >::get_k(), merge_functions(), and madness::project().

Referenced by smooth_density_from_orbitals(), and smooth_sigma().

◆ gauss_norm()

template<typename T, std::size_t NDIM>

double madness::smooth< T, NDIM >::gauss_norm ( const double & exponent ) const

inline

References pow().

Referenced by gaussian_smoothing().

◆ gaussian_smoothing()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::gaussian_smoothing	(	const Function< T, NDIM > &	f,
		const double &	eps = 0.04,
		const std::string &	name = "nooutput" ) const

inline

References madness::apply(), madness::f, gauss_norm(), L, make_plots(), madness::name(), op(), output(), madness::stringify(), and world.

Referenced by make_explog(), and smooth_density().

◆ get_density_thresh()

template<typename T, std::size_t NDIM>

double madness::smooth< T, NDIM >::get_density_thresh ( ) const

inline

References madness::FunctionDefaults< NDIM >::thresh, madness::FunctionDefaults< NDIM >::get_thresh(), and pow().

Referenced by make_density_mask(), smooth_density(), and smooth_sigma().

◆ linearize()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::linearize ( const Function< T, NDIM > & ln_rho ) const

inline

References madness::FunctionDefaults< NDIM >::get_k(), make_plots(), and madness::project().

Referenced by smooth_density().

◆ make_density_mask()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::make_density_mask ( const Function< T, NDIM > & density ) const

inline

References get_density_thresh(), make_plots(), madness::multiop_values(), and madness::Function< T, NDIM >::reconstruct().

◆ make_explog()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::make_explog	(	const Function< T, NDIM > &	f,
		const std::string &	msg = "function" ) const

inline

References madness::copy(), madness::f, gaussian_smoothing(), madness::make_exp(), madness::make_log(), make_plots(), and madness::Function< T, NDIM >::unaryop().

◆ make_inv_mask()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::make_inv_mask ( const Function< T, NDIM > & mask ) const

inline

References madness::FunctionFactory< T, NDIM >::f(), madness::FunctionDefaults< NDIM >::get_k(), madness::mask(), madness::project(), unit(), madness::unitfunctor(), and world.

Referenced by merge_functions().

◆ make_mask()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::make_mask	(	const Function< T, NDIM > &	samplef,
		const double &	thresh ) const

inline

References madness::FunctionDefaults< NDIM >::thresh, madness::FunctionDefaults< NDIM >::get_k(), make_plots(), madness::mask(), madness::multiop_values(), madness::project(), and madness::Function< T, NDIM >::reconstruct().

◆ make_plots()

template<typename T, std::size_t NDIM>

void madness::smooth< T, NDIM >::make_plots	(	const Function< T, NDIM > &	f,
		const std::string &	name = "function" ) const

inline

References madness::f, madness::FunctionDefaults< NDIM >::get_cell_min_width(), madness::name(), madness::plot_line(), madness::plot_plane(), and world.

Referenced by gaussian_smoothing(), linearize(), make_density_mask(), make_explog(), make_mask(), merge_functions(), smooth_density(), smooth_density_from_orbitals(), and smooth_sigma().

◆ make_sigma()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::make_sigma ( const Function< T, NDIM > & density ) const

inline

References madness::Function< T, NDIM >::autorefine(), d, madness::gradient_operator(), gradop, MADNESS_ASSERT, NDIM, sigma, and world.

Referenced by smooth_sigma().

◆ merge_functions() [1/2]

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::merge_functions	(	const Function< T, NDIM > &	f,
		const Function< T, NDIM > &	sf,
		const double &	thresh ) const

inline

References madness::f, madness::FunctionDefaults< NDIM >::thresh, MADNESS_ASSERT, madness::multiop_values(), NDIM, madness::refine_to_common_level(), and world.

◆ merge_functions() [2/2]

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::merge_functions	(	const Function< T, NDIM > &	f,
		const Function< T, NDIM > &	sf,
		const Function< T, NDIM > &	mask,
		const std::string &	name = "f" ) const

inline

References madness::f, make_inv_mask(), make_plots(), madness::mask(), and madness::name().

Referenced by cut_oscillations(), and smooth_density().

◆ munge_density()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::munge_density ( const Function< T, NDIM > & density ) const

inline

References madness::copy(), madness::munge(), and madness::Function< T, NDIM >::unaryop().

◆ output()

template<typename T, std::size_t NDIM>

void madness::smooth< T, NDIM >::output ( const std::string & msg ) const

inline

References world.

Referenced by gaussian_smoothing(), and test_1d().

◆ smooth_density()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::smooth_density	(	const Function< T, NDIM > &	density,
		const std::string &	msg = "function" )

inline

References madness::copy(), gaussian_smoothing(), get_density_thresh(), linearize(), madness::make_exp(), madness::make_log(), make_plots(), merge_functions(), smooth_density(), and madness::Function< T, NDIM >::unaryop().

Referenced by smooth_density().

◆ smooth_density_from_orbitals()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::smooth_density_from_orbitals ( const std::vector< Function< T, NDIM > > & orbitals ) const

inline

References cut_oscillations(), madness::FunctionDefaults< NDIM >::thresh, madness::FunctionDefaults< NDIM >::get_thresh(), make_plots(), madness::Function< T, NDIM >::refine(), madness::stringify(), and world.

Referenced by main().

◆ smooth_sigma()

template<typename T, std::size_t NDIM>

Function< T, NDIM > madness::smooth< T, NDIM >::smooth_sigma ( const Function< T, NDIM > & density )

inline

References cut_oscillations(), get_density_thresh(), MADNESS_ASSERT, make_plots(), make_sigma(), NDIM, sigma, and smooth_sigma().

Referenced by smooth_sigma().

◆ test_1d()

template<typename T, std::size_t NDIM>

void madness::smooth< T, NDIM >::test_1d ( ) const

inline

References madness::apply(), diff(), madness::f, madness::FunctionFactory< T, NDIM >::f(), L, madness::norm2(), op(), output(), madness::plot_line(), pow(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::stringify(), madness::test_1d_functor(), and world.

Member Data Documentation

◆ box_mask_

template<typename T, std::size_t NDIM>

const Function<T, NDIM> madness::smooth< T, NDIM >::box_mask_

private

◆ inv_mask_

template<typename T, std::size_t NDIM>

Function<T, NDIM> madness::smooth< T, NDIM >::inv_mask_

private

◆ mask_

template<typename T, std::size_t NDIM>

Function<T, NDIM> madness::smooth< T, NDIM >::mask_

private

◆ world

template<typename T, std::size_t NDIM>

World& madness::smooth< T, NDIM >::world

private

Referenced by smooth(), smooth(), gaussian_smoothing(), make_inv_mask(), make_plots(), make_sigma(), merge_functions(), output(), smooth_density_from_orbitals(), and test_1d().

The documentation for this class was generated from the following file:

smooth.h