plainpairlist.cpp File Reference

#include "gmxpre.h"
#include <algorithm>
#include <numeric>
#include <vector>
#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/mdlib/forcerec.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdtypes/atominfo.h"
#include "gromacs/nbnxm/gridset.h"
#include "gromacs/nbnxm/kernel_common.h"
#include "gromacs/nbnxm/nbnxm.h"
#include "gromacs/nbnxm/nbnxm_simd.h"
#include "gromacs/nbnxm/pairlistset.h"
#include "gromacs/nbnxm/pairlistsets.h"
#include "gromacs/nbnxm/pairsearch.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/ioptionscontainer.h"
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/listoflists.h"
#include "gromacs/utility/logger.h"
#include "gromacs/utility/vec.h"
#include "testutils/testasserts.h"
#include "testutils/testinit.h"
#include "testutils/testoptions.h"
#include "testsystem.h"

Include dependency graph for plainpairlist.cpp:

Description

Tests for the plain pairlist extraction functionality.

Author

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

Classes
struct	gmx::test::anonymous_namespace{plainpairlist.cpp}::KernelOptions
	The options for the kernel. More...
class	gmx::test::anonymous_namespace{plainpairlist.cpp}::PlainPairlistTest
	Class that sets up and holds a set of N atoms and a full NxM pairlist. More...

Functions
std::unique_ptr < nonbonded_verlet_t >	gmx::test::anonymous_namespace{plainpairlist.cpp}::setupNbnxmForBenchInstance (const KernelOptions &options, const TestSystem &system)
	Sets up and returns a Nbnxm object for the given benchmark options and system.
int	gmx::test::anonymous_namespace{plainpairlist.cpp}::countPairsWithinCutoff (ArrayRef< const PlainPairlist::PairlistEntry > plainPairlist, ArrayRef< const RVec > coordinates, ArrayRef< const RVec > shiftVecs, const real cutoff)

Variables
int	gmx::test::anonymous_namespace{plainpairlist.cpp}::g_numOpenMPThreads = 2