MADNESS  0.10.1
Classes | Namespaces | Typedefs | Functions
funcplot.h File Reference

Defines/implements plotting interface for functions. More...

#include <madness/constants.h>
#include "QCCalculationParametersBase.h"
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Classes

struct  madness::PlotParameters
 
struct  madness::trajectory< NDIM >
 

Namespaces

 madness
 File holds all helper structures necessary for the CC_Operator and CC2 class.
 
 madness::detail
 

Typedefs

typedef Vector< double, 3 > madness::coord_3d
 
typedef Vector< double, 6 > madness::coord_6d
 

Functions

unsigned short madness::detail::htons_x (unsigned short a)
 
template<size_t NDIM>
void madness::plot (const std::vector< Function< double, NDIM > > &vf, const std::string &name, const std::vector< std::string > &header)
 convenience to get plot_plane and plot_cubefile More...
 
template<size_t NDIM>
void madness::plot_along (World &world, trajectory< NDIM > traj, const Function< double, NDIM > &function, std::string filename)
 
template<size_t NDIM>
void madness::plot_along (World &world, trajectory< NDIM > traj, double(*ff)(const Vector< double, NDIM > &), std::string filename)
 
template<size_t NDIM>
std::enable_if< NDIM==3, void >::type madness::plot_cubefile (World &world, const Function< double, NDIM > &f, std::string filename, std::vector< std::string > molecular_info=std::vector< std::string >(), int npoints=100, double zoom=1.0)
 
template<typename T , std::size_t NDIM>
void madness::plot_line (const char *filename, int npt, const Vector< double, NDIM > &lo, const Vector< double, NDIM > &hi, const Function< T, NDIM > &f)
 Generates ASCII file tabulating f(r) at npoints along line r=lo,...,hi. More...
 
template<typename T , typename U , std::size_t NDIM>
void madness::plot_line (const char *filename, int npt, const Vector< double, NDIM > &lo, const Vector< double, NDIM > &hi, const Function< T, NDIM > &f, const Function< U, NDIM > &g)
 Generates ASCII file tabulating f(r) and g(r) at npoints along line r=lo,...,hi. More...
 
template<typename T , typename U , typename V , std::size_t NDIM>
void madness::plot_line (const char *filename, int npt, const Vector< double, NDIM > &lo, const Vector< double, NDIM > &hi, const Function< T, NDIM > &f, const Function< U, NDIM > &g, const Function< V, NDIM > &a)
 Generates ASCII file tabulating f(r), g(r), and a(r) at npoints along line r=lo,...,hi. More...
 
template<typename T , typename U , typename V , typename W , std::size_t NDIM>
void madness::plot_line (const char *filename, int npt, const Vector< double, NDIM > &lo, const Vector< double, NDIM > &hi, const Function< T, NDIM > &f, const Function< U, NDIM > &g, const Function< V, NDIM > &a, const Function< W, NDIM > &b)
 Generates ASCII file tabulating f(r), g(r), a(r), b(r) at npoints along line r=lo,...,hi. More...
 
template<typename T , std::size_t NDIM>
void madness::plot_line (const char *filename, int npt, const Vector< double, NDIM > &lo, const Vector< double, NDIM > &hi, const std::vector< Function< T, NDIM >> &vf)
 The ordinate is distance from lo. More...
 
template<typename opT , std::size_t NDIM>
void madness::plot_line (World &world, const char *filename, int npt, const Vector< double, NDIM > &lo, const Vector< double, NDIM > &hi, const opT &op)
 Generates ASCII file tabulating f(r) at npoints along line r=lo,...,hi. More...
 
static void madness::plot_line_print_value (FILE *f, double v)
 
static void madness::plot_line_print_value (FILE *f, double_complex v)
 
template<size_t NDIM>
void madness::plot_plane (World &world, const Function< double, NDIM > &function, const std::string name)
 
template<size_t NDIM>
void madness::plot_plane (World &world, const Function< double, NDIM > &function1, const Function< double, NDIM > &function2, const Function< double, NDIM > &function3, const std::string name)
 
template<size_t NDIM>
void madness::plot_plane (World &world, const Function< double, NDIM > &function1, const Function< double, NDIM > &function2, const std::string name)
 
template<size_t NDIM, typename opT >
void madness::plot_plane (World &world, const opT &op, const std::string name, const PlotParameters param)
 
template<size_t NDIM>
void madness::plot_plane (World &world, const std::vector< Function< double, NDIM > > &vfunction, const std::string name, const PlotParameters param)
 plot a 2-d slice of a given function and the according MRA structure More...
 
template<size_t NDIM>
void madness::plot_plane (World &world, const std::vector< Function< double, NDIM > > &vfunction, const std::string name, const std::string inputfile="input")
 
template<typename T , std::size_t NDIM>
void madness::plotdx (const Function< T, NDIM > &f, const char *filename, const Tensor< double > &cell=FunctionDefaults< NDIM >::get_cell(), const std::vector< long > &npt=std::vector< long >(NDIM, 201L), bool binary=true)
 Writes an OpenDX format file with a cube/slice of points on a uniform grid. More...
 
template<typename T >
static void madness::plotpovray (const Function< T, 3 > &function, const char *filename, const Tensor< double > &cell=FunctionDefaults< 3 >::get_cell(), const std::vector< long > &npt=std::vector< long >(3, 201L))
 Writes a Povray DF3 format file with a cube of points on a uniform grid. More...
 
template<std::size_t NDIM>
void madness::plotvtk_begin (World &world, const char *filename, const Vector< double, NDIM > &plotlo, const Vector< double, NDIM > &plothi, const Vector< long, NDIM > &npt, bool binary=false)
 
template<typename T , std::size_t NDIM>
void madness::plotvtk_data (const Function< std::complex< T >, NDIM > &function, const char *fieldname, World &world, const char *filename, const Vector< double, NDIM > &plotlo, const Vector< double, NDIM > &plothi, const Vector< long, NDIM > &npt, bool binary=false, bool plot_refine=false)
 VTK data writer for complex-valued madness::functions. More...
 
template<typename T , std::size_t NDIM>
void madness::plotvtk_data (const Function< T, NDIM > &function, const char *fieldname, World &world, const char *filename, const Vector< double, NDIM > &plotlo, const Vector< double, NDIM > &plothi, const Vector< long, NDIM > &npt, bool binary=false, bool plot_refine=false)
 VTK data writer for real-valued (not complex) madness::functions. More...
 
template<typename T , std::size_t NDIM>
void madness::plotvtk_data (const T &function, const char *fieldname, World &world, const char *filename, const Vector< double, NDIM > &plotlo, const Vector< double, NDIM > &plothi, const Vector< long, NDIM > &npt, bool binary=false)
 
template<std::size_t NDIM>
void madness::plotvtk_end (World &world, const char *filename, bool binary=false)
 
template<size_t NDIM>
std::enable_if< NDIM==3, void >::type madness::print_tree_jsonfile (World &world, const Function< double, NDIM > &f, std::string filename)
 
template<typename T >
static std::string madness::stringify (T arg)
 

Detailed Description

Defines/implements plotting interface for functions.