Periodic Boundary Conditions
[Tools]

Functions
__host__ __device__ void	checkPBC (FLOAT_ARRAY_TYPE *pos, float *boxSize)
	Confine a particle into the simulation box according to the periodic boundary conditions.
__device__ void	gpuDistPBC (FLOAT_ARRAY_TYPE *dDist, FLOAT_ARRAY_TYPE *dA, FLOAT_ARRAY_TYPE *dB, float *boxSize)
	Calculates particle distance according to the nearest image convention.

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Detailed Description

This module contains all functions related to periodic boundary conditions.

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Function Documentation

__host__ __device__ void checkPBC	(	FLOAT_ARRAY_TYPE *	pos,
		float *	boxSize
	)			[inline]

If a particle has its postion pos outside the simulation box, it is replaced into the box according to the periodic boundary conditions.

The function is callable and executable either on the device or host.

Parameters:

[in,out]	pos	Particle position (either on host or device)
[in]	boxSize	Edge length of the cubic simulation box

Definition at line 154 of file gpu_tools.cuh.

Referenced by gpuIntegratorLeapFrog().

__device__ void gpuDistPBC	(	FLOAT_ARRAY_TYPE *	dDist,
		FLOAT_ARRAY_TYPE *	dA,
		FLOAT_ARRAY_TYPE *	dB,
		float *	boxSize
	)

Given the positions of particles dA and dB in device memory, the distance according to the nearest image convention is given back in dDist .

Parameters:

[out]	dDist	Resulting distance between particle dA and dB
[in]	dA	Position of particle dA
[in]	dB	Position of particle dB
[in]	boxSize	Edge length of the cubic simulation box

Definition at line 131 of file gpu_tools.cuh.

References gpuRnd().

Referenced by gpuAddHarmonicBondForce(), gpuAddLJForce(), gpuAddLJForceCut(), gpuGenerateVerletList(), gpuGenerateVerletListSmem(), gpuGenerateVerletListSmemVar1(), gpuGenerateVerletListVar1(), gpuGetHarmonicPotentialEnergyKernel(), and gpuLJCutPotentialEnergyKernel().