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fix_nve_body.h
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Thu, Jul 4, 08:08

fix_nve_body.h

/* -*- 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(nve/body,FixNVEBody)
#else
#ifndef LMP_FIX_NVE_BODY_H
#define LMP_FIX_NVE_BODY_H
#include "fix_nve.h"
namespace LAMMPS_NS {
class FixNVEBody : public FixNVE {
public:
FixNVEBody(class LAMMPS *, int, char **);
void init();
void initial_integrate(int);
void final_integrate();
private:
double dtq;
class AtomVecBody *avec;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Fix nve/body requires atom style body
Self-explanatory.
E: Fix nve/body requires bodies
This fix can only be used for particles that are bodies.
*/

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