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pairsearch.h File Reference
#include <memory>
#include <vector>
#include "gromacs/domdec/domdec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/nbnxm/atomdata.h"
#include "gromacs/timing/cyclecounter.h"
#include "gromacs/utility/alignedallocator.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"
#include "gridset.h"
#include "pairlist.h"
+ Include dependency graph for pairsearch.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

class  nbnxn_cycle_t
 Local cycle count struct for profiling. More...
 
struct  SearchCycleCounting
 Struct for collecting detailed cycle counts for the search. More...
 
struct  PairsearchWork
 Thread-local work struct, contains working data for Grid. More...
 
class  PairSearch
 Main pair-search struct, contains the grid(s), not the pair-list(s) 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.