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fix_aveforce.h
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Sat, Jul 13, 05:34

fix_aveforce.h

/* ----------------------------------------------------------------------
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(aveforce,FixAveForce)
#else
#ifndef LMP_FIX_AVEFORCE_H
#define LMP_FIX_AVEFORCE_H
#include "fix.h"
namespace LAMMPS_NS {
class FixAveForce : public Fix {
public:
FixAveForce(class LAMMPS *, int, char **);
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 compute_vector(int);
private:
int xflag,yflag,zflag,iregion;
double xvalue,yvalue,zvalue;
double foriginal_all[4];
int nlevels_respa;
};
}
#endif
#endif

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