specialization for linear grid with PBC More...

Collaboration diagram for CubicBsplineGrid< T, LINEAR_1DGRID, PBC_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 >

Public Member Functions
	CubicBsplineGrid ()

bool	getGridPoint (point_type x, int &i)

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

Public Attributes
int	i0

int	i1

int	i2

int	i3

point_type	GridStart

point_type	GridEnd

point_type	GridDelta

point_type	GridDeltaInv

point_type	GridDeltaInv2

point_type	L

point_type	Linv

point_type	curPoint

point_type	tp [4]

Detailed Description

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

specialization for linear grid with PBC

Definition at line 33 of file CubicBsplineGrid.h.

Member Typedef Documentation

◆ container_type

using container_type = std::vector<T>

Definition at line 37 of file CubicBsplineGrid.h.

◆ point_type

using point_type = typename GridTraits<T>::point_type

Definition at line 35 of file CubicBsplineGrid.h.

◆ value_type

using value_type = typename GridTraits<T>::value_type

Definition at line 36 of file CubicBsplineGrid.h.

Constructor & Destructor Documentation

◆ CubicBsplineGrid()

CubicBsplineGrid ( )

inline

Definition at line 43 of file CubicBsplineGrid.h.

43 : curPoint(-10000) {}

CubicBsplineGrid< T, LINEAR_1DGRID, PBC_CONSTRAINTS >::curPoint

point_type curPoint

Definition: CubicBsplineGrid.h:40

Member Function Documentation

◆ getGridPoint()

bool getGridPoint	(	point_type	x,
		int &	i
	)

inline

Definition at line 45 of file CubicBsplineGrid.h.

References qmcplusplus::floor().

   {
     //point_type delta = x - GridStart;
     //delta -= std::floor(delta*Linv)*L;
     //point_type ipart;
     //point_type t = modf (delta*GridDeltaInv, &ipart);
     //int i = (int) ipart;
     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;
   }

◆ spline()

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

inline

Definition at line 63 of file CubicBsplineGrid.h.

References qmcplusplus::Units::force::N.

   {
     GridStart = start;
     GridEnd   = end;
     int N     = data.size();
     if (closed)
       N--;
     p.resize(N + 3);
     L             = end - start;
     Linv          = 1.0 / L;
     GridDelta     = L / static_cast<T>(N);
     GridDeltaInv  = 1.0 / GridDelta;
     GridDeltaInv2 = 1.0 / GridDelta / GridDelta;
     SolvePeriodicInterp1D<T>::apply(data, p, N);
     p[0]     = p[N];
     p[N + 1] = p[1];
     p[N + 2] = p[2];
   }