compute_position.h

/* ----------------------------------------------------------------------
   compute position is a child class of "compute", developed based on the
   "compute msd", provided by LAMMPS.
   This command is distributed under the GNU General Public License.
------------------------------------------------------------------------- */

/* -*- 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(position,ComputePosition)

#else

#ifndef LMP_COMPUTE_POSITION_H
#define LMP_COMPUTE_POSITION_H

#include "compute.h"

namespace LAMMPS_NS {

class ComputePosition : public Compute {
 public:
  ComputePosition(class LAMMPS *, int, char **);
  virtual ~ComputePosition();
  void init();
  virtual void compute_vector();
 
 protected:
  int me; // This is for the definition of rank of processor in LAMMPS
  int nprocs; // This is for the number of processors
  int *tmprecvcnts; // Number of atoms per each processor
  int *recvcnts; // Number of atoms per each processor
  int *displs; // Displacement array for receiving the correct data set from each processor
  double *sendbuff; // The sending array from all processors

};
}

#endif
#endif

/* ERROR/WARNING messages:

E: Illegal ... command

Self-explanatory.  Check the input script syntax and compare to the
documentation for the command. 

*/