gpubox Struct Reference

A simple box defining a 2D periodic domain. More...

#include <gpubox.h>

Public Member Functions
HOSTDEVICE	gpubox (Dscalar x, Dscalar y)
	Construct a rectangular box containing the unit cell ((0,0),(x,0),(x,y),(0,y))
HOSTDEVICE	gpubox (Dscalar a, Dscalar b, Dscalar c, Dscalar d)
	Construct a non-rectangular box.
HOSTDEVICE void	getBoxDims (Dscalar &xx, Dscalar &xy, Dscalar &yx, Dscalar &yy)
	Get the dimensions of the box.
HOSTDEVICE bool	isBoxSquare ()
	Check if the box is rectangular or not (as certain optimizations can then be used)
HOSTDEVICE void	getBoxInvDims (Dscalar &xx, Dscalar &xy, Dscalar &yx, Dscalar &yy)
	Get the inverse of the box transformation matrix.
HOSTDEVICE void	setSquare (Dscalar x, Dscalar y)
	Set the box to some new rectangular specification.
HOSTDEVICE void	setGeneral (Dscalar a, Dscalar b, Dscalar c, Dscalar d)
	Set the box to some new generic specification.
HOSTDEVICE void	putInBoxReal (Dscalar2 &p1)
	Take the point and put it back in the unit cell.
HOSTDEVICE void	Trans (const Dscalar2 &p1, Dscalar2 &pans)
	Take a point in the unit square and find its position in the box.
HOSTDEVICE void	invTrans (const Dscalar2 p1, Dscalar2 &pans)
	Take a point in the box and find its position in the unit square.
HOSTDEVICE void	minDist (const Dscalar2 &p1, const Dscalar2 &p2, Dscalar2 &pans)
	Calculate the minimum distance between two points.
HOSTDEVICE void	move (Dscalar2 &p1, const Dscalar2 &disp)
	Move p1 by the amount disp, then put it in the box.
HOSTDEVICE void	operator= (gpubox &other)

Protected Member Functions
HOSTDEVICE void	putInBox (Dscalar2 &vp)

Protected Attributes
Dscalar	x11
	The transformation matrix defining the periodic box.
Dscalar	x12
Dscalar	x21
Dscalar	x22
Dscalar	halfx11
Dscalar	halfx22
Dscalar	xi11
	The inverse of the transformation matrix.
Dscalar	xi12
Dscalar	xi21
Dscalar	xi22
bool	isSquare

Detailed Description

A simple box defining a 2D periodic domain.

gpubox periodic boundary conditions in 2D, computing minimum distances between periodic images, displacing particles and putting them back in the central unit cell, etc. The workhorse of this class is calling Box.minDist(vecA,vecB,&disp), which computes the displacement between vecA and the closest periodic image of vecB and stores the result in disp. Also Box.putInBoxReal(&point), which will take the point and put it back in the primary unit cell. Please note that while the gpubox class can handle generic 2D periodic domains, many of the other classes that interface with it do not yet have this functionality implemented.

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

• gpubox.h