OptimalGrid2 Class Reference

The OptimalGrid class stores a grid which has linear spacing at the origin and exponential spacing further out. More...

Inheritance diagram for OptimalGrid2:

Collaboration diagram for OptimalGrid2:

Public Member Functions
GridType	Type () override
	Returns the type of the grid (i.e. linear, optimal, etc) More...
int	ReverseMap (double r) override
	Returns the index of the nearest point below r. More...
double	Geta () const
	Returns a parameter. More...
double	Getb () const
	Returns b parameter. More...
	OptimalGrid2 ()
	OptimalGrid2 (int numpoints, double rmax, double bval)
	This form of the constructor takes the number of points, the maximum radius and the value of b. More...
void	Init (double start, double end, double ratio, int numpoints)
	OptimalGrid2 (double start, double end, double ratio, int numpoints)
	This form of the constructor takes a, b, and the number of points. More...
void	Write (IOSectionClass &outSection) override
void	Read (IOSectionClass &inSection) override
Public Member Functions inherited from Grid
double	operator() (int i) const
	The i'th point in the grid. More...
double *	data ()
Array< double, 1 > &	Points ()
virtual	~Grid ()

Private Attributes
double	a
double	b
double	c
double	Ratio

Additional Inherited Members
Public Attributes inherited from Grid
double	Start
	First and last grid points. More...
double	End
int	NumPoints
	Number of points in the grid. More...
Protected Attributes inherited from Grid
Array< double, 1 >	grid
	Contains the grid points. More...

Detailed Description

The OptimalGrid class stores a grid which has linear spacing at the origin and exponential spacing further out.

It has the analytic form

.

Definition at line 354 of file Grid.h.

Constructor & Destructor Documentation

OptimalGrid2() [1/3]

OptimalGrid2 ( )

inline

Definition at line 377 of file Grid.h.

  {
    // Do nothing
  }

OptimalGrid2() [2/3]

OptimalGrid2 ( int  numpoints, double  rmax, double  bval  )

inline

This form of the constructor takes the number of points, the maximum radius and the value of b.

Definition at line 384 of file Grid.h.

References a, b, c, Grid::End, qmcplusplus::exp(), Grid::grid, Grid::NumPoints, Array< T, D, ALLOC >::resize(), and Grid::Start.

  {
    NumPoints = numpoints;
    b         = bval;
    End       = rmax;
    a         = End / (exp(b * (double)NumPoints) - 1.0);
    Start     = a * (exp(b) - 1.0);
    grid.resize(NumPoints);
    c = 0.0;

    for (int i = 0; i < NumPoints; i++)
      grid(i) = c + a * expm1(b * i);
  }

OptimalGrid2() [3/3]

OptimalGrid2 ( double  start, double  end, double  ratio, int  numpoints  )

inline

This form of the constructor takes a, b, and the number of points.

Definition at line 417 of file Grid.h.

References Init().

{ Init(start, end, ratio, numpoints); }

Member Function Documentation

Geta()

double Geta ( ) const

inline

Returns a parameter.

Definition at line 372 of file Grid.h.

References a.

{ return (a); }

Getb()

double Getb ( ) const

inline

Returns b parameter.

Definition at line 375 of file Grid.h.

References b.

{ return (b); }

Init()

void Init ( double  start, double  end, double  ratio, int  numpoints  )

inline

Definition at line 398 of file Grid.h.

References a, b, c, Grid::End, Grid::grid, qmcplusplus::log(), Grid::NumPoints, Ratio, Array< T, D, ALLOC >::resize(), and Grid::Start.

Referenced by OptimalGrid2(), and Read().

  {
    Start     = start;
    End       = end;
    Ratio     = ratio;
    NumPoints = numpoints;

    b = log(ratio) / (double)(numpoints - 2);
    c = Start;
    a = (end - c) / expm1(b * (double)(numpoints - 1));

    grid.resize(NumPoints);

    for (int i = 0; i < NumPoints; i++)
      grid(i) = c + a * expm1(b * i);
  }

Read()

void Read ( IOSectionClass &  inSection )

inlineoverridevirtual

Implements Grid.

Definition at line 429 of file Grid.h.

References Init(), and IOSectionClass::ReadVar().

  {
    double start, end, ratio;
    int numPoints;
    assert(inSection.ReadVar("Start", start));
    assert(inSection.ReadVar("End", end));
    assert(inSection.ReadVar("Ratio", ratio));
    assert(inSection.ReadVar("NumPoints", numPoints));
    Init(start, end, ratio, numPoints);
  }

ReverseMap()

int ReverseMap ( double  r )

inlineoverridevirtual

Returns the index of the nearest point below r.

Implements Grid.

Definition at line 363 of file Grid.h.

References a, b, c, and qmcplusplus::floor().

  {
    //     if ((r/a) < 1e-6)
    //       return ((int)floor(r/(a*b)));
    //     else
    return ((int)floor(log1p((r - c) / a) / b));
  }

Type()

GridType Type ( )

inlineoverridevirtual

Returns the type of the grid (i.e. linear, optimal, etc)

Implements Grid.

Definition at line 361 of file Grid.h.

References OPTIMAL2.

{ return (OPTIMAL2); }

Write()

void Write ( IOSectionClass &  outSection )

inlineoverridevirtual

Implements Grid.

Definition at line 419 of file Grid.h.

References Grid::End, Grid::grid, Grid::NumPoints, Ratio, Grid::Start, and IOSectionClass::WriteVar().

  {
    outSection.WriteVar("Points", grid);
    outSection.WriteVar("Type", std::string("Optimal2"));
    outSection.WriteVar("Start", Start);
    outSection.WriteVar("End", End);
    outSection.WriteVar("Ratio", Ratio);
    outSection.WriteVar("NumPoints", NumPoints);
  }

Member Data Documentation

a

double a

private

Definition at line 357 of file Grid.h.

Referenced by Geta(), Init(), OptimalGrid2(), and ReverseMap().

b

double b

private

Definition at line 357 of file Grid.h.

Referenced by Getb(), Init(), OptimalGrid2(), and ReverseMap().

c

double c

private

Definition at line 357 of file Grid.h.

Referenced by Init(), OptimalGrid2(), and ReverseMap().

Ratio

double Ratio

private

Definition at line 358 of file Grid.h.

Referenced by Init(), and Write().

---

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCTools/ppconvert/src/common/Grid.h