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fix_wall_piston.h
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Sun, Jun 9, 23:03

fix_wall_piston.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(wall/piston,FixWallPiston)
#else
#ifndef LMP_FIX_WALL_PISTON_H
#define LMP_FIX_WALL_PISTON_H
#include "fix.h"
namespace LAMMPS_NS {
class FixWallPiston : public Fix {
public:
FixWallPiston(class LAMMPS *, int, char **);
int setmask();
void post_integrate();
void initial_integrate(int);
private:
int xloflag,xhiflag,yloflag,yhiflag,zloflag,zhiflag;
int scaleflag, roughflag, rampflag, rampNL1flag, rampNL2flag, rampNL3flag, rampNL4flag, rampNL5flag;
double roughdist,roughoff,x0,y0,z0,vx,vy,vz,maxvx,maxvy,maxvz,paccelx,paccely,paccelz, angfreq;
int tempflag, tseed;
double t_target, t_period, t_extent;
class RanMars *randomt;
double *gfactor1,*gfactor2;
};
}
#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: Fix wall/piston command only available at zlo
The face keyword must be zlo.
E: Must shrink-wrap piston boundary
The boundary style of the face where the piston is applied must be of
type s (shrink-wrapped).
E: Illegal fix wall/piston velocity
The piston velocity must be positive.
E: Cannot use wall in periodic dimension
The boundary style of the face where atoms are added can not be of
type p (periodic).
E: Use of fix wall/piston with undefined lattice
A lattice must be defined before using this fix.
E: NL ramp in wall/piston only implemented in zlo for now
The ramp keyword can only be used for piston applied to face zlo.
*/

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