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fix_spring_pull.h
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Sat, Nov 2, 15:32

fix_spring_pull.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(spring/pull,FixSpringPull)
#else
#ifndef LMP_FIX_SPRING_PULL_H
#define LMP_FIX_SPRING_PULL_H
#include "fix.h"
namespace LAMMPS_NS {
class FixSpringPull : public Fix {
public:
FixSpringPull(class LAMMPS *, int, char **);
virtual int setmask();
virtual void init();
virtual void setup(int);
virtual void min_setup(int);
virtual void post_force(int);
virtual void post_force_respa(int, int, int);
virtual void min_post_force(int);
virtual double compute_scalar();
virtual double compute_vector(int);
private:
double xc,yc,zc,r0;
double xv,yv,zv;
double k_spring;
int xflag,yflag,zflag;
double masstotal;
int nlevels_respa;
double espring,ftotal[8];
};
}
#endif
#endif

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