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fix_freeze.h
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Fri, Jul 5, 02:39
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rLAMMPS lammps
fix_freeze.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
(
freeze
,
FixFreeze
)
#else
#ifndef LMP_FIX_FREEZE_H
#define LMP_FIX_FREEZE_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixFreeze
:
public
Fix
{
public:
FixFreeze
(
class
LAMMPS
*
,
int
,
char
**
);
int
setmask
();
void
init
();
void
setup
(
int
);
void
post_force
(
int
);
void
post_force_respa
(
int
,
int
,
int
);
double
compute_vector
(
int
);
private:
int
force_flag
;
double
foriginal
[
3
],
foriginal_all
[
3
];
};
}
#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 freeze requires atom attribute torque
The atom style defined does not have this attribute.
E: More than one fix freeze
Only one of these fixes can be defined, since the granular pair
potentials access it.
*/
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