CubicBsplineGrid< T, LINEAR_1DGRID, FIRSTDERIV_CONSTRAINTS > Struct Template Reference

specialization for linear grid with PBC More...

Collaboration diagram for CubicBsplineGrid< T, LINEAR_1DGRID, FIRSTDERIV_CONSTRAINTS >:

Public Types
using	point_type = typename GridTraits< T >::point_type
using	value_type = typename GridTraits< T >::value_type
using	container_type = std::vector< T >
using	size_t = std::size_t

Public Member Functions
	CubicBsplineGrid ()
bool	getGridPoint (point_type x, int &i)
void	setGrid (point_type start, point_type end, size_t n)
	set linear grid More...
void	spline (point_type start, point_type end, const container_type &data, container_type &p, bool closed)
void	spline (point_type start, point_type end, value_type startDeriv, value_type endDeriv, const container_type &data, container_type &p)

Public Attributes
int	Npts
	number of points More...
point_type	GridStart
point_type	GridEnd
point_type	GridDelta
point_type	GridDeltaInv
point_type	GridDeltaInv2
point_type	L
point_type	Linv
point_type	tp [4]

Detailed Description

template<class T>
struct CubicBsplineGrid< T, LINEAR_1DGRID, FIRSTDERIV_CONSTRAINTS >

specialization for linear grid with PBC

Definition at line 85 of file CubicBsplineGrid.h.

Member Typedef Documentation

container_type

using container_type = std::vector<T>

Definition at line 89 of file CubicBsplineGrid.h.

point_type

using point_type = typename GridTraits<T>::point_type

Definition at line 87 of file CubicBsplineGrid.h.

size_t

using size_t = std::size_t

Definition at line 90 of file CubicBsplineGrid.h.

value_type

using value_type = typename GridTraits<T>::value_type

Definition at line 88 of file CubicBsplineGrid.h.

Constructor & Destructor Documentation

CubicBsplineGrid()

CubicBsplineGrid ( )

inline

Definition at line 96 of file CubicBsplineGrid.h.

{}

Member Function Documentation

getGridPoint()

bool getGridPoint ( point_type  x, int &  i  )

inline

Definition at line 98 of file CubicBsplineGrid.h.

References qmcplusplus::floor().

  {
    if (x < GridStart || x > GridEnd)
      return false;
    point_type delta = x - GridStart;
    delta -= std::floor(delta * Linv) * L;
    i            = static_cast<int>(delta * GridDeltaInv);
    point_type t = delta * GridDeltaInv - i;
    tp[0]        = t * t * t;
    tp[1]        = t * t;
    tp[2]        = t;
    tp[3]        = 1.0;
    return true;
  }

setGrid()

void setGrid ( point_type  start, point_type  end, size_t  n  )

inline

set linear grid

Parameters

start	starting grid
end	ending grid
n	size of data

Definition at line 118 of file CubicBsplineGrid.h.

References qmcplusplus::n.

  {
    Npts          = n;
    L             = end - start;
    Linv          = 1.0 / L;
    GridDelta     = L / static_cast<point_type>(Npts - 1);
    GridDeltaInv  = 1.0 / GridDelta;
    GridDeltaInv2 = 1.0 / GridDelta / GridDelta;
    GridStart     = start;
    GridEnd       = end;
  }

spline() [1/2]

void spline ( point_type  start, point_type  end, const container_type &  data, container_type &  p, bool  closed  )

inline

Definition at line 130 of file CubicBsplineGrid.h.

  {
    setGrid(start, end, data.size());
    p.resize(Npts + 2);
    point_type bcLower[] = {-3.0, 0.0, 3.0, 0.0};
    point_type bcUpper[] = {-3.0, 0.0, 3.0, 0.0};
    bcLower[3]           = data[1] - data[0];
    bcUpper[3]           = data[Npts - 1] - data[Npts - 2];
    SolveFirstDerivInterp1D<point_type>::apply(data, p, Npts, bcLower, bcUpper);
  }

spline() [2/2]

void spline ( point_type  start, point_type  end, value_type  startDeriv, value_type  endDeriv, const container_type &  data, container_type &  p  )

inline

Definition at line 141 of file CubicBsplineGrid.h.

  {
    setGrid(start, end, data.size());
    p.resize(Npts + 2);
    point_type bcLower[] = {-3.0, 0.0, 3.0, 0.0};
    point_type bcUpper[] = {-3.0, 0.0, 3.0, 0.0};
    bcLower[3]           = startDeriv * GridDelta;
    bcUpper[3]           = endDeriv * GridDelta;
    SolveFirstDerivInterp1D<point_type>::apply(data, p, Npts, bcLower, bcUpper);
  }

Member Data Documentation

GridDelta

point_type GridDelta

Definition at line 93 of file CubicBsplineGrid.h.

GridDeltaInv

point_type GridDeltaInv

Definition at line 93 of file CubicBsplineGrid.h.

GridDeltaInv2

point_type GridDeltaInv2

Definition at line 93 of file CubicBsplineGrid.h.

GridEnd

point_type GridEnd

Definition at line 93 of file CubicBsplineGrid.h.

GridStart

point_type GridStart

Definition at line 93 of file CubicBsplineGrid.h.

L

point_type L

Definition at line 93 of file CubicBsplineGrid.h.

Linv

point_type Linv

Definition at line 93 of file CubicBsplineGrid.h.

Npts

int Npts

number of points

Definition at line 92 of file CubicBsplineGrid.h.

tp

point_type tp[4]

Definition at line 94 of file CubicBsplineGrid.h.

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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/CubicBsplineGrid.h