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fix_wall_piston.h
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Sun, Oct 20, 06:32
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rLAMMPS lammps
fix_wall_piston.h
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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.
------------------------------------------------------------------------- */
#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
**
);
virtual
~
FixWallPiston
();
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
Self-explanatory.
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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