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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(tersoff/table/omp,PairTersoffTableOMP)
#else
#ifndef LMP_PAIR_TERSOFF_TABLE_OMP_H
#define LMP_PAIR_TERSOFF_TABLE_OMP_H
#include "pair_tersoff_table.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PairTersoffTableOMP : public PairTersoffTable, public ThrOMP {
public:
PairTersoffTableOMP(class LAMMPS *);
virtual ~PairTersoffTableOMP();
virtual void compute(int, int);
virtual double memory_usage();
protected:
double ***thrGtetaFunction, ***thrGtetaFunctionDerived;
double **thrCutoffFunction, **thrCutoffFunctionDerived;
void allocatePreLoops(void);
void deallocatePreLoops(void);
private:
template <int EVFLAG, int VFLAG_ATOM>
void eval(int ifrom, int ito, ThrData * const thr);
};
}
#endif
#endif