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fix_store_force.h
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Wed, Oct 9, 01:18
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Fri, Oct 11, 01:18 (2 d)
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rLAMMPS lammps
fix_store_force.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
(
store
/
force
,
FixStoreForce
)
#else
#ifndef LMP_FIX_STORE_FORCE_H
#define LMP_FIX_STORE_FORCE_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixStoreForce
:
public
Fix
{
public:
FixStoreForce
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixStoreForce
();
int
setmask
();
void
init
();
void
setup
(
int
);
void
min_setup
(
int
);
void
post_force
(
int
);
void
post_force_respa
(
int
,
int
,
int
);
void
min_post_force
(
int
);
double
memory_usage
();
private:
int
nlevels_respa
;
int
nmax
;
double
**
foriginal
;
// stored force on atoms
};
}
#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.
*/
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