pairlistwork.h File Reference

#include <memory>
#include <vector>
#include "gromacs/simd/simd.h"
#include "boundingboxes.h"
#include "grid.h"
#include "pairlist.h"

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Description

Declares working data structures for the CPU and GPU pairlists.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
struct	NbnxnPairlistCpuWork
	Working data for the actual i-supercell during pair search. More...
struct	NbnxnPairlistCpuWork::IClusterData
	Struct for storing coordinates and bounding box for an i-entry during search. More...