text: /* -*- c++ -*- ----------------------------------------------------------
     LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
     http://lammps.sandia.gov, Sandia National Laboratories
     Steve Plimpton, sjplimp@sandia.gov
  
     Copyright (2003) Sandia Corporation.  Under the terms of Contract
     DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
     certain rights in this software.  This software is distributed under
     the GNU General Public License.
  
     See the README file in the top-level LAMMPS directory.
  ------------------------------------------------------------------------- */
  
  #ifdef COMPUTE_CLASS
  
  ComputeStyle(pe/tally,ComputePETally)
  
  #else
  
  #ifndef LMP_COMPUTE_PETALLY_H
  #define LMP_COMPUTE_PETALLY_H
  
  #include "compute.h"
  
  namespace LAMMPS_NS {
  
  class ComputePETally : public Compute {
  
   public:
    ComputePETally(class LAMMPS *, int, char **);
    virtual ~ComputePETally();
  
    void init();
  
    double compute_scalar();
    void compute_peratom();
  
    int pack_reverse_comm(int, int, double *);
    void unpack_reverse_comm(int, int *, double *);
    double memory_usage();
  
    void pair_setup_callback(int, int);
    void pair_tally_callback(int, int, int, int,
                             double, double, double,
                             double, double, double);
  
   private:
    bigint did_setup;
    int nmax,igroup2,groupbit2;
    double **eatom;
    double etotal[2];
  };
  
  }
  
  #endif
  #endif
  
  /* ERROR/WARNING messages:
  
  E: Illegal ... command
  
  Self-explanatory.  Check the input script syntax and compare to the
  documentation for the command.  You can use -echo screen as a
  command-line option when running LAMMPS to see the offending line.
  
  */
  