exclusions.cpp File Reference

#include "gmxpre.h"
#include "config.h"
#include <cstdint>
#include <algorithm>
#include <memory>
#include <optional>
#include <string>
#include <tuple>
#include <utility>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdtypes/atominfo.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/locality.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/nbnxm/atomdata.h"
#include "gromacs/nbnxm/gridset.h"
#include "gromacs/nbnxm/nbnxm.h"
#include "gromacs/nbnxm/nbnxm_simd.h"
#include "gromacs/nbnxm/pairlist.h"
#include "gromacs/nbnxm/pairlistparams.h"
#include "gromacs/nbnxm/pairlistset.h"
#include "gromacs/nbnxm/pairlistwork.h"
#include "gromacs/nbnxm/pairsearch.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/listoflists.h"
#include "gromacs/utility/logger.h"
#include "gromacs/utility/range.h"
#include "gromacs/utility/real.h"
#include "testutils/testasserts.h"

Include dependency graph for exclusions.cpp:

Description

Tests for exclusions in the Nbnxm CPU pairlists.

Author

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

Functions
std::pair< std::unique_ptr < nbnxn_atomdata_t > , std::unique_ptr< PairlistSet > >	gmx::test::anonymous_namespace{exclusions.cpp}::diagonalPairlist (const NbnxmKernelType kernelType, const int numAtoms)
	Sets up and return atom data for numAtoms atoms and a numAtoms^2 pair list. More...

Variables
const auto	gmx::test::anonymous_namespace{exclusions.cpp}::testKernelTypes