MADNESS  0.10.1
Classes | Public Member Functions | Private Attributes | List of all members
madness::smooth< T, NDIM > Class Template Reference

#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

◆ 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

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::smooth< T, NDIM >::merge_functions(), and madness::project().

Referenced by madness::smooth< T, NDIM >::smooth_density_from_orbitals(), and madness::smooth< T, NDIM >::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 madness::smooth< T, NDIM >::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, madness::smooth< T, NDIM >::gauss_norm(), L, madness::smooth< T, NDIM >::make_plots(), madness::name(), op(), madness::smooth< T, NDIM >::output(), madness::stringify(), and madness::smooth< T, NDIM >::world.

Referenced by madness::smooth< T, NDIM >::make_explog(), and madness::smooth< T, NDIM >::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 >::get_thresh(), pow(), and thresh.

Referenced by madness::smooth< T, NDIM >::make_density_mask(), madness::smooth< T, NDIM >::smooth_density(), and madness::smooth< T, NDIM >::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::smooth< T, NDIM >::make_plots(), and madness::project().

Referenced by madness::smooth< T, NDIM >::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 madness::smooth< T, NDIM >::get_density_thresh(), madness::smooth< T, NDIM >::make_plots(), 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, madness::smooth< T, NDIM >::gaussian_smoothing(), madness::make_exp(), madness::make_log(), madness::smooth< T, NDIM >::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(), mask, madness::project(), madness::unitfunctor(), and madness::smooth< T, NDIM >::world.

Referenced by madness::smooth< T, NDIM >::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::smooth< T, NDIM >::make_plots(), mask, madness::project(), madness::Function< T, NDIM >::reconstruct(), and thresh.

◆ 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 madness::smooth< T, NDIM >::world.

Referenced by madness::smooth< T, NDIM >::gaussian_smoothing(), madness::smooth< T, NDIM >::linearize(), madness::smooth< T, NDIM >::make_density_mask(), madness::smooth< T, NDIM >::make_explog(), madness::smooth< T, NDIM >::make_mask(), madness::smooth< T, NDIM >::merge_functions(), madness::smooth< T, NDIM >::smooth_density(), madness::smooth< T, NDIM >::smooth_density_from_orbitals(), and madness::smooth< T, NDIM >::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(), gradop, MADNESS_ASSERT, NDIM, sigma, and madness::smooth< T, NDIM >::world.

Referenced by madness::smooth< T, NDIM >::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_ASSERT, NDIM, madness::refine_to_common_level(), thresh, and madness::smooth< T, NDIM >::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, madness::smooth< T, NDIM >::make_inv_mask(), madness::smooth< T, NDIM >::make_plots(), mask, and madness::name().

Referenced by madness::smooth< T, NDIM >::cut_oscillations(), and madness::smooth< T, NDIM >::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(), 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 madness::World::rank(), and madness::smooth< T, NDIM >::world.

Referenced by madness::smooth< T, NDIM >::gaussian_smoothing(), and madness::smooth< T, NDIM >::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(), madness::smooth< T, NDIM >::gaussian_smoothing(), madness::smooth< T, NDIM >::get_density_thresh(), madness::smooth< T, NDIM >::linearize(), madness::make_exp(), madness::make_log(), madness::smooth< T, NDIM >::make_plots(), madness::smooth< T, NDIM >::merge_functions(), and madness::Function< T, NDIM >::unaryop().

◆ 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 madness::smooth< T, NDIM >::cut_oscillations(), madness::FunctionDefaults< NDIM >::get_thresh(), madness::smooth< T, NDIM >::make_plots(), madness::Function< T, NDIM >::refine(), madness::stringify(), thresh, and madness::smooth< T, NDIM >::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 madness::smooth< T, NDIM >::cut_oscillations(), madness::smooth< T, NDIM >::get_density_thresh(), MADNESS_ASSERT, madness::smooth< T, NDIM >::make_plots(), madness::smooth< T, NDIM >::make_sigma(), NDIM, and 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, L, madness::norm2(), op(), madness::smooth< T, NDIM >::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 madness::smooth< T, NDIM >::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 madness::smooth< T, NDIM >::gaussian_smoothing(), madness::smooth< T, NDIM >::make_inv_mask(), madness::smooth< T, NDIM >::make_plots(), madness::smooth< T, NDIM >::make_sigma(), madness::smooth< T, NDIM >::merge_functions(), madness::smooth< T, NDIM >::output(), madness::smooth< T, NDIM >::smooth_density_from_orbitals(), and madness::smooth< T, NDIM >::test_1d().

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