NumericalGrid< T, CT > Struct Template Reference

One-Dimensional numerical grid with arbitrary grid spacings. More...

Inheritance diagram for NumericalGrid< T, CT >:

Collaboration diagram for NumericalGrid< T, CT >:

Public Member Functions
	NumericalGrid ()
template<class VA >
	NumericalGrid (const VA &nv)
std::unique_ptr< OneDimGridBase< T, CT > >	makeClone () const override
template<class IT >
void	assign (IT g_first, IT g_last)
void	resize (int n)
int	locate (T r) const override
	evaluate the index of r More...
void	set (T ri, T rf, int n) override
	Set the grid given the parameters. More...
Public Member Functions inherited from OneDimGridBase< T, CT >
	OneDimGridBase ()
virtual	~OneDimGridBase ()=default
int	getGridTag () const
int	getIndex (T r) const
T &	operator[] (int i)
	assign a value More...
T &	operator() (int i)
	assign a value More...
T	operator[] (int i) const
	return a value More...
T	operator() (int i) const
	return a value More...
const T *	data () const
T *	data ()
T	dh () const
	return the differential spacing of the grid More...
T	r (int i) const
	returns More...
T	dr (int i) const
	returns More...
int	size () const
	returns the size of the grid More...
T	rmin () const
	return the first grid point More...
T	rmax () const
	return the last grid point More...
template<typename T1 >
int	getIndexAndDistanceFromGridPoint (T r, T1 &dist) const

Additional Inherited Members
Public Types inherited from OneDimGridBase< T, CT >
using	value_type = T
using	Array_t = CT
Public Attributes inherited from OneDimGridBase< T, CT >
int	GridTag
int	num_points
value_type	lower_bound
value_type	upper_bound
value_type	Delta
	differential spacing of the grid More...
double	DeltaInv
Array_t	X
	array to store the radial grid data More...

Detailed Description

template<class T, class CT = Vector<T>>
struct qmcplusplus::NumericalGrid< T, CT >

One-Dimensional numerical grid with arbitrary grid spacings.

Non-Analytic grid, uses an array of values (typically read in from a file).

Definition at line 277 of file OneDimGridBase.h.

Constructor & Destructor Documentation

NumericalGrid() [1/2]

NumericalGrid ( )

inline

Definition at line 286 of file OneDimGridBase.h.

References CUSTOM_1DGRID, and OneDimGridBase< T, CT >::GridTag.

{ GridTag = CUSTOM_1DGRID; }

NumericalGrid() [2/2]

NumericalGrid ( const VA &  nv )

inline

Definition at line 289 of file OneDimGridBase.h.

References NumericalGrid< T, CT >::assign(), CUSTOM_1DGRID, and OneDimGridBase< T, CT >::GridTag.

  {
    GridTag = CUSTOM_1DGRID;
    assign(nv.begin(), nv.end());
  }

Member Function Documentation

assign()

void assign ( IT  g_first, IT  g_last  )

inline

Definition at line 302 of file OneDimGridBase.h.

References copy(), OneDimGridBase< T, CT >::Delta, OneDimGridBase< T, CT >::lower_bound, OneDimGridBase< T, CT >::num_points, OneDimGridBase< T, CT >::upper_bound, and OneDimGridBase< T, CT >::X.

Referenced by NumericalGrid< T, CT >::NumericalGrid().

  {
    num_points = g_last - g_first;
    X.resize(num_points);
    copy(g_first, g_last, X.begin());
    lower_bound = X[0];
    upper_bound = X[num_points - 1];
    int nf      = num_points / 2;
    Delta       = X[nf] - X[nf - 1];
  }

locate()

int locate ( T  r ) const

inlineoverridevirtual

evaluate the index of r

Parameters

r	current position

The grid index satisfies .

Implements OneDimGridBase< T, CT >.

Definition at line 319 of file OneDimGridBase.h.

References OneDimGridBase< T, CT >::num_points, OneDimGridBase< T, CT >::r(), and OneDimGridBase< T, CT >::X.

  {
    int k;
    int klo = 0;
    int khi = num_points;
    //int khi=this->size()-1;
    while (khi - klo > 1)
    {
      k = (khi + klo) >> 1;
      if (X[k] > r)
        khi = k;
      else
        klo = k;
    }
    return klo;
  }

makeClone()

std::unique_ptr<OneDimGridBase<T, CT> > makeClone ( ) const

inlineoverridevirtual

Implements OneDimGridBase< T, CT >.

Definition at line 295 of file OneDimGridBase.h.

  {
    return std::make_unique<NumericalGrid<T, CT>>(*this);
  }

resize()

void resize ( int  n )

inline

Definition at line 313 of file OneDimGridBase.h.

References qmcplusplus::n, and OneDimGridBase< T, CT >::X.

Referenced by OneDimNumGridFunctor< T >::put().

  {
    if (X.size() != n)
      X.resize(n);
  }

set()

void set ( T  ri, T  rf, int  n  )

inlineoverridevirtual

Set the grid given the parameters.

Parameters

ri	initial grid point
rf	final grid point
n	number of grid points

Implements OneDimGridBase< T, CT >.

Definition at line 336 of file OneDimGridBase.h.

References OneDimGridBase< T, CT >::lower_bound, qmcplusplus::n, OneDimGridBase< T, CT >::num_points, and OneDimGridBase< T, CT >::upper_bound.

  {
    lower_bound = ri;
    upper_bound = rf;
    num_points  = n;
    //X.resize(n);
    //Delta = 0.0;
  }

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Numerics/OneDimGridBase.h