Gromacs
2023.2
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#include <memory>
#include <vector>
#include "gromacs/simd/simd.h"
#include "boundingboxes.h"
#include "grid.h"
#include "pairlist.h"
Declares working data structures for the CPU and GPU pairlists.
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... | |