lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation 
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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

   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.
------------------------------------------------------------------------- */

#ifndef LMP_FIX_EVENT_H
#define LMP_FIX_EVENT_H

#include "fix.h"

namespace LAMMPS_NS {

class FixEvent : public Fix {
 public:
  FixEvent(class LAMMPS *, int, char **);
  virtual ~FixEvent()=0;      // use destructor to make base class virtual
  int setmask();

  double memory_usage();
  void grow_arrays(int);
  void copy_arrays(int, int, int);
  int pack_exchange(int, double *);
  int unpack_exchange(int, double *);
  virtual void write_restart(FILE *) {}
  virtual void restart(char *) {}

  // methods specific to FixEvent

  void store_event();              // store quenched atoms
  void restore_event();            // restore quenched atoms
  void store_state_quench();       // store hot atoms prior to quench
  void restore_state_quench();     // restore hot atoms after quench
  void store_state_dephase();      // store atoms before dephase iteration
  void restore_state_dephase();    // restore atoms if dephase had event

 private:
  double **xevent;       // atom coords at last event
  double **xold;         // atom coords for reset/restore
  double **vold;         // atom vels for reset/restore
  imageint *imageold;    // image flags for reset/restore
  double **xorig;        // original atom coords for reset/restore
  double **vorig;        // original atom vels for reset/restore
  imageint *imageorig;   // original image flags for reset/restore
};

}

#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.

*/