Gromacs  2022.2
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Classes
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...