#ifndef OPENMM_CPU_NEIGHBORLIST_H_ #define OPENMM_CPU_NEIGHBORLIST_H_ #include "windowsExportCpu.h" #include #include #include namespace OpenMM { class OPENMM_EXPORT_CPU CpuNeighborList { public: void computeNeighborList(int nAtoms, const std::vector& atomLocations, const std::vector >& exclusions, const float* periodicBoxSize, bool usePeriodic, float maxDistance, float minDistance = 0.0f, bool reportSymmetricPairs = false); const std::vector >& getNeighbors(); private: std::vector > neighbors; }; } // namespace OpenMM #endif // OPENMM_REFERENCE_NEIGHBORLIST_H_