Description

Declares inline-friendly code for making 4xN pairlists.

Functions
static void	icell_set_x_simd_4xn (int ci, real shx, real shy, real shz, int gmx_unused stride, const real x, NbnxnPairlistCpuWork work)
	Copies PBC shifted i-cell packed atom coordinates to working array.

static void	makeClusterListSimd4xn (const Grid &jGrid, NbnxnPairlistCpu nbl, int icluster, int firstCell, int lastCell, bool excludeSubDiagonal, const real gmx_restrict x_j, real rlist2, float rbb2, int *gmx_restrict numDistanceChecks)
	SIMD code for checking and adding cluster-pairs to the list using coordinates in packed format. More...

Variables
static constexpr int	c_xStride4xN
	Stride of the packed x coordinate array. More...

Function Documentation

static void makeClusterListSimd4xn	(	const Grid &	jGrid,
		NbnxnPairlistCpu *	nbl,
		int	icluster,
		int	firstCell,
		int	lastCell,
		bool	excludeSubDiagonal,
		const real *gmx_restrict	x_j,
		real	rlist2,
		float	rbb2,
		int *gmx_restrict	numDistanceChecks
	)

inlinestatic

SIMD code for checking and adding cluster-pairs to the list using coordinates in packed format.

Checks bounding box distances and possibly atom pair distances. This is an accelerated version of make_cluster_list_simple.

Parameters

[in]	jGrid	The j-grid
[in,out]	nbl	The pair-list to store the cluster pairs in
[in]	icluster	The index of the i-cluster
[in]	firstCell	The first cluster in the j-range, using i-cluster size indexing
[in]	lastCell	The last cluster in the j-range, using i-cluster size indexing
[in]	excludeSubDiagonal	Exclude atom pairs with i-index > j-index
[in]	x_j	Coordinates for the j-atom, in SIMD packed format
[in]	rlist2	The squared list cut-off
[in]	rbb2	The squared cut-off for putting cluster-pairs in the list based on bounding box distance only
[in,out]	numDistanceChecks	The number of distance checks performed