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pairsearch.h File Reference
#include <memory>
#include <vector>
#include "gromacs/domdec/domdec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/timing/cyclecounter.h"
#include "gromacs/utility/alignedallocator.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"
#include "atomdata.h"
#include "gridset.h"
#include "pairlist.h"
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Declares the PairSearch class and helper structs.

The PairSearch class holds the domain setup, the search grids and helper object for the pair search. It manages the search work. The actual gridding and pairlist generation is performeed by the GridSet/Grid and PairlistSet/Pairlist classes, respectively.

Berk Hess


struct  SearchCycleCounting
 Struct for collecting detailed cycle counts for the search. More...


template<class T >
using AlignedVector = std::vector< T, gmx::AlignedAllocator< T >>
 Convenience declaration for an std::vector with aligned memory.


enum  { enbsCCgrid, enbsCCsearch, enbsCCcombine, enbsCCnr }
 Local cycle count enum for profiling different parts of search.