fix_spring_pull.h
7d7235ccbb00lammps-icms

fix_spring_pull.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(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];
			int force_flag;
			};

			}

			#endif
			#endif