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lammps/src/fix_deform.h
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fix_deform.h
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/* ----------------------------------------------------------------------
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(deform,FixDeform)
#else
#ifndef LMP_FIX_DEFORM_H
#define LMP_FIX_DEFORM_H
#include "fix.h"
namespace LAMMPS_NS {
class FixDeform : public Fix {
public:
int remapflag; // whether x,v are remapped across PBC
int dimflag[6]; // which dims are deformed
FixDeform(class LAMMPS *, int, char **);
~FixDeform();
int setmask();
void init();
void pre_exchange();
void end_of_step();
private:
int triclinic,scaleflag,flip;
double *h_rate,*h_ratelo;
int kspace_flag; // 1 if KSpace invoked, 0 if not
int nrigid; // number of rigid fixes
int *rfix; // indices of rigid fixes
double TWOPI;
struct Set {
int style,substyle;
double flo,fhi,ftilt;
double dlo,dhi,dtilt;
double scale,vel,rate;
double amplitude,tperiod;
double lo_initial,hi_initial;
double lo_start,hi_start,lo_stop,hi_stop,lo_target,hi_target;
double tilt_initial,tilt_start,tilt_stop,tilt_target,tilt_flip;
double tilt_min,tilt_max;
double vol_initial,vol_start;
int fixed,dynamic1,dynamic2;
};
Set *set;
void options(int, char **);
};
}
#endif
#endif
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