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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Description

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.

Author

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

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

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

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