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fix_nh_body.h
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Wed, Oct 16, 23:51
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rLAMMPS lammps
fix_nh_body.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.
------------------------------------------------------------------------- */
#ifndef LMP_FIX_NH_BODY_H
#define LMP_FIX_NH_BODY_H
#include "fix_nh.h"
namespace
LAMMPS_NS
{
class
FixNHBody
:
public
FixNH
{
public:
FixNHBody
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixNHBody
()
{}
void
init
();
protected:
double
dtq
;
class
AtomVecBody
*
avec
;
void
nve_v
();
void
nve_x
();
void
nh_v_temp
();
};
}
#endif
/* ERROR/WARNING messages:
E: Compute nvt/nph/npt body requires atom style body
Self-explanatory.
E: Fix nvt/nph/npt body requires bodies
Self-explanatory.
*/
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