/* -*- 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 FIX_CLASS

FixStyle(tasm,FixTASM)

#else

#ifndef LMP_FIX_TASM_H
#define LMP_FIX_TASM_H

#include "fix.h"

namespace LAMMPS_NS {

class FixTASM : public Fix {
 public:
  FixTASM(class LAMMPS *, int, char **);
  ~FixTASM();
  int setmask();
  void init();
  void end_of_step();
  double compute_vector(int);
  void neighbor_settings();

 private:
  double epsilon;
  int istyle;
  int tailflag;
  int eflag, vflag,iflag;
  double temp_tasm;
  double oldlo[3];
  double oldhi[3];
  double lo_orig[3];
  double hi_orig[3];
  double vector[5];  
  double lo_cur[3];
  double hi_cur[3];
  int step;          // Initial time.
  
  int nmax;
  int allremap;
  double **x_orig;
  double **f_orig;
  double **v_orig;
  double eng_vdwl_orig;
  double pvirial_orig[6];
  double *peatom_orig,**pvatom_orig;
  FILE *fp;
  char *string,*copy,*work;
  int maxcopy,maxwork;

  double fixedpoint[3];            // location of dilation fixed-point

  int nrigid;                      // number of rigid fixes
  int *rfix;                       // indices of rigid fixes
  
  class Compute *pe;

  double energy_settings();
  void perturbation_settings(int);
  void backup_settings();
  void restore_settings();
  void allocate_storage();
  void deallocate_storage();
};

}

#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.

E: Variable name for fix adapt does not exist

Self-explanatory.

E: Variable for fix adapt is invalid style

Only equal-style variables can be used.

E: Fix adapt pair style does not exist

Self-explanatory

E: Fix adapt pair style param not supported

The pair style does not know about the parameter you specified.

E: Fix adapt type pair range is not valid for pair hybrid sub-style

Self-explanatory.

E: Fix adapt kspace style does not exist

Self-explanatory.

E: Fix adapt requires atom attribute diameter

The atom style being used does not specify an atom diameter.

E: Fix adapt requires atom attribute charge

The atom style being used does not specify an atom charge.

*/