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Gromacs
2026.0-dev-20251119-5f0a571d
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Classes | |
| struct | KernelOptions |
| The options for the kernel. More... | |
| class | PlainPairlistTest |
| Class that sets up and holds a set of N atoms and a full NxM pairlist. More... | |
Functions | |
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std::unique_ptr < nonbonded_verlet_t > | setupNbnxmForBenchInstance (const KernelOptions &options, const TestSystem &system) |
| Sets up and returns a Nbnxm object for the given benchmark options and system. | |
| int | countPairsWithinCutoff (ArrayRef< const PlainPairlist::PairlistEntry > plainPairlist, ArrayRef< const RVec > coordinates, ArrayRef< const RVec > shiftVecs, const real cutoff) |
Variables | |
| int | g_numOpenMPThreads = 2 |
1.8.5