Perform One-Dimensional linear spline Interpolation. More...

Inheritance diagram for OneDimLinearSpline< Td, Tg, CTd, CTg >:

Collaboration diagram for OneDimLinearSpline< Td, Tg, CTd, CTg >:

Public Types
using	base_type = OneDimGridFunctor< Td, Tg, CTd, CTg >

using	value_type = typename base_type::value_type

using	point_type = typename base_type::point_type

using	data_type = typename base_type::data_type

using	grid_type = typename base_type::grid_type

Public Types inherited from OneDimGridFunctor< Td, Tg, CTd, CTg >
using	value_type = Td
	the type of the value on a grid More...

using	point_type = Tg
	the type of the grid value More...

using	data_type = CTd
	the type of the containers Y, dY and d2Y More...

using	grid_type = OneDimGridBase< Tg, CTg >
	the grid type More...

using	this_type = OneDimGridFunctor< Td, Tg, CTd, CTg >
	the type of this class More...

Public Member Functions
	OneDimLinearSpline (const grid_type *gt=0)

	OneDimLinearSpline (point_type ri, point_type rf)

template<class VV >
	OneDimLinearSpline (grid_type *gt, const VV &nv, bool pbc=false)

OneDimLinearSpline< Td, Tg, CTd, CTg > *	makeClone () const

template<class IT >
void	assign (IT d_first, IT d_last)

point_type	rmax () const

value_type	splint (point_type r) const override
	evaluate the value at r More...

void	locate (point_type r, int &k, point_type &rfrac)
	evaluate the value at r using a binary search on a grid More...

value_type	f (int k, point_type rfrac)
	evaluate the value at r=(k + rfrac)*delta More...

value_type	splint (point_type r, value_type &du, value_type &d2u) const override
	evaluate the value at r More...

void	spline (int imin, value_type yp1, int imax, value_type ypn)
	evaluate the spline coefficients More...

void	spline ()

Public Member Functions inherited from OneDimGridFunctor< Td, Tg, CTd, CTg >
	OneDimGridFunctor (std::unique_ptr< grid_type > gt=std::unique_ptr< grid_type >())
	constructor More...

	OneDimGridFunctor (const OneDimGridFunctor &a)

virtual	~OneDimGridFunctor ()=default

template<typename TT >
void	resetParameters (const TT &active)

void	setNumOfNodes (int n)
	set the number of nodes More...

int	getNumOfNodes () const
	return the number of nodes More...

value_type *	data ()
	return the grid data More...

const value_type *	data () const
	assign the grid data More...

int	size () const
	return the number of data points More...

void	resize (int n)
	resize the number of data points More...

const grid_type &	grid () const
	return the radial grid More...

grid_type &	grid ()
	assign a radial grid More...

value_type	operator() (int i) const
	returns a value More...

value_type &	operator() (int i)
	asign a value at i More...

point_type	dh () const
	return the address of the values More...

point_type	r (int i) const
	return the grid point at index i More...

point_type	dr (int i) const
	return More...

value_type	f (point_type r)
	Evaluate the function and its derivatives, store the derivatives. More...

value_type	df (point_type r)
	Evaluate the function and its derivatives, store the derivatives. More...

value_type	evaluate (point_type r, point_type rinv)
	Evaluate the function value only. More...

value_type	evaluateAll (point_type r, point_type rinv)
	Evaluate the function and its derivatives. More...

value_type	evaluate (point_type r, point_type rinv, value_type &du, value_type &d2u)
	Evaluate the function and its derivatives. More...

Public Attributes
int	First

int	Last

value_type	ConstValue

point_type	r_min

point_type	r_max

point_type	delta

point_type	delta_inv

data_type	m_Y1

value_type	d2Y
	store the second derivative of the function More...

value_type	dY
	store the derivative of the function More...

std::unique_ptr< grid_type >	m_grid
	pointer to the radial grid More...

data_type	m_Y
	data for the function on the grid More...

value_type	Y
	store the value of the function More...

Public Attributes inherited from OneDimGridFunctor< Td, Tg, CTd, CTg >
std::unique_ptr< grid_type >	m_grid
	pointer to the radial grid More...

value_type	Y
	store the value of the function More...

value_type	dY
	store the derivative of the function More...

value_type	d2Y
	store the second derivative of the function More...

data_type	m_Y
	data for the function on the grid More...

int	NumNodes
	the number of nodes More...

Detailed Description

template<class Td, class Tg = Td, class CTd = Vector<Td>, class CTg = Vector<Tg>>
class qmcplusplus::OneDimLinearSpline< Td, Tg, CTd, CTg >

Perform One-Dimensional linear spline Interpolation.

Only valid with linear grid.

Todo:: Have to prevent OneDimLinearSpline<T> being used with other than linear grid!!

Definition at line 30 of file OneDimLinearSpline.h.

Member Typedef Documentation

◆ base_type

using base_type = OneDimGridFunctor<Td, Tg, CTd, CTg>

Definition at line 33 of file OneDimLinearSpline.h.

◆ data_type

using data_type = typename base_type::data_type

Definition at line 36 of file OneDimLinearSpline.h.

◆ grid_type

using grid_type = typename base_type::grid_type

Definition at line 37 of file OneDimLinearSpline.h.

◆ point_type

using point_type = typename base_type::point_type

Definition at line 35 of file OneDimLinearSpline.h.

◆ value_type

using value_type = typename base_type::value_type

Definition at line 34 of file OneDimLinearSpline.h.

Constructor & Destructor Documentation

◆ OneDimLinearSpline() [1/3]

OneDimLinearSpline ( const grid_type * gt = 0 )

inline

Definition at line 56 of file OneDimLinearSpline.h.

References OneDimLinearSpline< Td, Tg, CTd, CTg >::r_max, and OneDimLinearSpline< Td, Tg, CTd, CTg >::r_min.

                                               : base_type(gt), r_min(0), r_max(0)
   {
     if (gt)
     {
       r_min = gt->rmin();
       r_max = gt->rmax();
     }
   }

◆ OneDimLinearSpline() [2/3]

OneDimLinearSpline	(	point_type	ri,
		point_type	rf
	)

inline

Definition at line 65 of file OneDimLinearSpline.h.

65 : base_type(0), r_min(ri), r_max(rf) {}

qmcplusplus::OneDimLinearSpline::base_type

OneDimGridFunctor< Td, Tg, CTd, CTg > base_type

Definition: OneDimLinearSpline.h:33

qmcplusplus::OneDimLinearSpline::r_max

point_type r_max

Definition: OneDimLinearSpline.h:51

qmcplusplus::OneDimLinearSpline::r_min

point_type r_min

Definition: OneDimLinearSpline.h:50

◆ OneDimLinearSpline() [3/3]

OneDimLinearSpline	(	grid_type *	gt,
		const VV &	nv,
		bool	pbc = `false`
	)

inline

Definition at line 68 of file OneDimLinearSpline.h.

References OneDimLinearSpline< Td, Tg, CTd, CTg >::assign(), OneDimLinearSpline< Td, Tg, CTd, CTg >::r_max, OneDimLinearSpline< Td, Tg, CTd, CTg >::r_min, OneDimGridBase< T, CT >::rmax(), and OneDimGridBase< T, CT >::rmin().

                                                                     : base_type(gt)
   {
     if (gt)
     {
       r_min = gt->rmin();
       r_max = gt->rmax();
     }
     assign(nv.begin(), nv.end());
   }

Member Function Documentation

◆ assign()

void assign	(	IT	d_first,
		IT	d_last
	)

inline

Definition at line 81 of file OneDimLinearSpline.h.

References copy(), OneDimLinearSpline< Td, Tg, CTd, CTg >::delta, OneDimLinearSpline< Td, Tg, CTd, CTg >::delta_inv, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimLinearSpline< Td, Tg, CTd, CTg >::r_max, and OneDimLinearSpline< Td, Tg, CTd, CTg >::r_min.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::OneDimLinearSpline().

   {
     m_Y.resize(d_last - d_first);
     copy(d_first, d_last, m_Y.data());
     delta = (r_max - r_min) / static_cast<point_type>(m_Y.size() - 1);
     //r_min=m_grid->rmin();
     //r_max=m_grid->rmax();
     //delta=m_grid->dh();
     delta_inv = 1.0 / delta;
   }

◆ f()

value_type f	(	int	k,
		point_type	rfrac
	)

inline

evaluate the value at r=(k + rfrac)*delta

Definition at line 155 of file OneDimLinearSpline.h.

References OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y.

155 { return m_Y[k] * (1.0 - rfrac) + m_Y[k + 1] * rfrac; }

qmcplusplus::OneDimGridFunctor::m_Y

data_type m_Y

data for the function on the grid

Definition: OneDimGridFunctor.h:194

◆ locate()

void locate	(	point_type	r,
		int &	k,
		point_type &	rfrac
	)

inline

evaluate the value at r using a binary search on a grid

Parameters

r	distance evaluate the index and the linear coefficient
r	distance
k	return index
rfrac	(r-floor(r/delta))/delta

Definition at line 147 of file OneDimLinearSpline.h.

References OneDimLinearSpline< Td, Tg, CTd, CTg >::delta_inv, OneDimGridFunctor< Td, Tg, CTd, CTg >::r(), and OneDimLinearSpline< Td, Tg, CTd, CTg >::r_min.

   {
     k     = static_cast<int>((r - r_min) * delta_inv);
     rfrac = r * delta_inv - k;
   }

◆ makeClone()

OneDimLinearSpline<Td, Tg, CTd, CTg>* makeClone ( ) const

inline

Definition at line 78 of file OneDimLinearSpline.h.

78 { return new OneDimLinearSpline<Td, Tg, CTd, CTg>(*this); }

◆ rmax()

point_type rmax ( ) const

inline

Definition at line 93 of file OneDimLinearSpline.h.

References OneDimLinearSpline< Td, Tg, CTd, CTg >::r_max.

93 { return r_max; }

qmcplusplus::OneDimLinearSpline::r_max

point_type r_max

Definition: OneDimLinearSpline.h:51

◆ spline() [1/2]

void spline	(	int	imin,
		value_type	yp1,
		int	imax,
		value_type	ypn
	)

inlinevirtual

evaluate the spline coefficients

Parameters

imin	index of the first valid grid
yp1	first derivative at imin grid point
imax	index of the last valid grid
ypn	first derivative at imax grid point

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 176 of file OneDimLinearSpline.h.

References OneDimLinearSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimLinearSpline< Td, Tg, CTd, CTg >::First, OneDimLinearSpline< Td, Tg, CTd, CTg >::Last, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_grid, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, and OneDimLinearSpline< Td, Tg, CTd, CTg >::m_Y1.

   {
     int npts(imax - imin + 1);
     First = imin;
     Last  = imax;
     m_Y1.resize(npts);
     //r_min=m_grid->r(imin);
     //r_max=m_grid->r(imax);
     for (int i = imin; i < imax - 1; i++)
     {
       m_Y1[i] = (m_Y[i + 1] - m_Y[i]) / ((*m_grid)[i + 1] - (*m_grid)[i]);
       //m_Y1[i]= (m_Y[i+1]-m_Y[i])*delta_inv;
     }
     m_Y1[imax] = 0.0;
     ConstValue = m_Y[imax];
   }

◆ spline() [2/2]

void spline ( )

inlinevirtual

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 193 of file OneDimLinearSpline.h.

References OneDimGridFunctor< Td, Tg, CTd, CTg >::size(), and OneDimLinearSpline< Td, Tg, CTd, CTg >::spline().

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::spline().

193 { spline(0, 0.0, this->size() - 1, 0.0); }

qmcplusplus::OneDimLinearSpline::spline

void spline()

Definition: OneDimLinearSpline.h:193

qmcplusplus::OneDimGridFunctor::size

int size() const

return the number of data points

Definition: OneDimGridFunctor.h:87

◆ splint() [1/2]

value_type splint ( point_type r ) const

inlineoverridevirtual

evaluate the value at r

Parameters

r	value on a grid

Returns: value obtained by cubic-spline

Performance may be tunned: define USE_MEMORYSAVEMODE to evaluate the coefficients instead of using aux. arrays

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 102 of file OneDimLinearSpline.h.

References OneDimLinearSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimLinearSpline< Td, Tg, CTd, CTg >::delta_inv, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimLinearSpline< Td, Tg, CTd, CTg >::m_Y1, OneDimGridFunctor< Td, Tg, CTd, CTg >::r(), OneDimLinearSpline< Td, Tg, CTd, CTg >::r_max, and OneDimLinearSpline< Td, Tg, CTd, CTg >::r_min.

   {
     if (r >= r_max)
       return ConstValue;
     int k = static_cast<int>((r - r_min) * delta_inv);
 #if defined(USE_MEMORYSAVEMODE)
     return m_Y[k] + (m_Y[k + 1] - m_Y[k]) * (r * delta_inv - k);
 #else
     return m_Y[k] + m_Y1[k] * (r - (*m_grid)[k]);
 #endif
   }

◆ splint() [2/2]

value_type splint	(	point_type	r,
		value_type &	du,
		value_type &	d2u
	)		const

inlineoverridevirtual

evaluate the value at r

Parameters

r	value on a grid
du	first derivative (assigned)
d2u	second derivative (assigned)

Returns: value obtained by cubic-spline

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 163 of file OneDimLinearSpline.h.

   {
     std::cerr << "  OneDimLinearSpline cannot be used for derivates." << std::endl;
     return 0.0;
   }

Member Data Documentation

◆ ConstValue

value_type ConstValue

Definition at line 49 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::spline(), and OneDimLinearSpline< Td, Tg, CTd, CTg >::splint().

◆ d2Y

value_type d2Y

store the second derivative of the function

Definition at line 191 of file OneDimGridFunctor.h.

◆ delta

point_type delta

Definition at line 52 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::assign().

◆ delta_inv

point_type delta_inv

Definition at line 53 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::assign(), OneDimLinearSpline< Td, Tg, CTd, CTg >::locate(), and OneDimLinearSpline< Td, Tg, CTd, CTg >::splint().

◆ dY

value_type dY

store the derivative of the function

Definition at line 189 of file OneDimGridFunctor.h.

◆ First

int First

Definition at line 47 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::spline().

◆ Last

int Last

Definition at line 48 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::spline().

◆ m_grid

std::unique_ptr<grid_type> m_grid

pointer to the radial grid

Definition at line 184 of file OneDimGridFunctor.h.

◆ m_Y

data_type m_Y

data for the function on the grid

Definition at line 194 of file OneDimGridFunctor.h.

◆ m_Y1

data_type m_Y1

Definition at line 54 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::spline(), and OneDimLinearSpline< Td, Tg, CTd, CTg >::splint().

◆ r_max

point_type r_max

Definition at line 51 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::assign(), OneDimLinearSpline< Td, Tg, CTd, CTg >::OneDimLinearSpline(), OneDimLinearSpline< Td, Tg, CTd, CTg >::rmax(), and OneDimLinearSpline< Td, Tg, CTd, CTg >::splint().

◆ r_min

point_type r_min

Definition at line 50 of file OneDimLinearSpline.h.

Referenced by OneDimLinearSpline< Td, Tg, CTd, CTg >::assign(), OneDimLinearSpline< Td, Tg, CTd, CTg >::locate(), OneDimLinearSpline< Td, Tg, CTd, CTg >::OneDimLinearSpline(), and OneDimLinearSpline< Td, Tg, CTd, CTg >::splint().

◆ Y

value_type Y

store the value of the function

Definition at line 187 of file OneDimGridFunctor.h.

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

/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Numerics/OneDimLinearSpline.h

Public Types

Public Member Functions

Public Attributes

Detailed Description

template<class Td, class Tg = Td, class CTd = Vector<Td>, class CTg = Vector<Tg>> class qmcplusplus::OneDimLinearSpline< Td, Tg, CTd, CTg >

Member Typedef Documentation

◆ base_type

◆ data_type

◆ grid_type

◆ point_type

◆ value_type

Constructor & Destructor Documentation

◆ OneDimLinearSpline() [1/3]

◆ OneDimLinearSpline() [2/3]

◆ OneDimLinearSpline() [3/3]

Member Function Documentation

◆ assign()

◆ f()

◆ locate()

◆ makeClone()

◆ rmax()

◆ spline() [1/2]

◆ spline() [2/2]

◆ splint() [1/2]

◆ splint() [2/2]

Member Data Documentation

◆ ConstValue

◆ d2Y

◆ delta

◆ delta_inv

◆ dY

◆ First

◆ Last

◆ m_grid

◆ m_Y

◆ m_Y1

◆ r_max

◆ r_min

◆ Y

template<class Td, class Tg = Td, class CTd = Vector<Td>, class CTg = Vector<Tg>>
class qmcplusplus::OneDimLinearSpline< Td, Tg, CTd, CTg >