LinearGrid< T, CT > Struct Template Reference

One-Dimensional linear-grid. More...

Inheritance diagram for LinearGrid< T, CT >:

Collaboration diagram for LinearGrid< T, CT >:

Public Member Functions
std::unique_ptr< OneDimGridBase< T, CT > >	makeClone () const override
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...
Ugrid	einspline_grid ()
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::LinearGrid< T, CT >

One-Dimensional linear-grid.

The analytic form where is the number of points and the index runs from 0 to .

Definition at line 134 of file OneDimGridBase.h.

Member Function Documentation

einspline_grid()

Ugrid einspline_grid ( )

inline

Definition at line 166 of file OneDimGridBase.h.

Referenced by QMCFiniteSize::getSkSpline().

  {
    Ugrid grid;
    grid.start     = lower_bound;
    grid.end       = upper_bound;
    grid.num       = num_points;
    grid.delta     = Delta;
    grid.delta_inv = DeltaInv;

    return grid;
  }

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 149 of file OneDimGridBase.h.

{ return static_cast<int>((static_cast<double>(r) - X[0]) * DeltaInv); }

makeClone()

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

inlineoverridevirtual

Implements OneDimGridBase< T, CT >.

Definition at line 144 of file OneDimGridBase.h.

Referenced by qmcplusplus::createSpline4RbyVs_temp(), qmcplusplus::createSpline4RbyVsDeriv_temp(), and qmcplusplus::TEST_CASE().

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

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 151 of file OneDimGridBase.h.

Referenced by CoulombPBCAB::add(), SkParserBase::compute_grid(), RadialJastrowBuilder::createJ1(), SkParserBase::get_grid(), CoulombPBCAA::initBreakup(), CoulombPBCAB::initBreakup(), BackflowBuilder::makeShortRange_twoBody(), QMCFiniteSize::spline_clamped(), and qmcplusplus::TEST_CASE().

  {
    GridTag     = LINEAR_1DGRID;
    lower_bound = ri;
    upper_bound = rf;
    num_points  = n;
    // Delta is the differential spacing
    X.resize(n);
    double Delta_DP = (static_cast<double>(rf) - static_cast<double>(ri)) / static_cast<double>(n - 1);
    Delta           = Delta_DP;
    DeltaInv        = 1.0 / Delta_DP;
    for (int i = 0; i < n; i++)
      X[i] = ri + Delta_DP * i;
  }

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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