#ifdef COMPUTE_CLASS ComputeStyle(nnn,ComputeNNN) #else #ifndef LMP_COMPUTE_NNN_H #define LMP_COMPUTE_NNN_H #include "compute.h" namespace LAMMPS_NS { class ComputeNNN : public Compute { public: ComputeNNN(class LAMMPS *, int, char **); ~ComputeNNN(); void init(); void init_list(int, class NeighList *); void setup(); void compute_local(); private: int me; int iatomtype,jatomtype; int imaxbond,jmaxbond; double cutsq; int createcount,createcounttotal; int nmax; int countflag,commflag; int btype; double **array; int *bondcount; tagint *partner,*finalpartner; double *distsq; class NeighList *list; void reallocate(int); }; } #endif #endif