fix_nve_dipole.h
116481677601efficient_neuronet

fix_nve_dipole.h
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			/* ----------------------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			www.cs.sandia.gov/~sjplimp/lammps.html
			Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories

			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 FIX_NVE_DIPOLE_H
			#define FIX_NVE_DIPOLE_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixNVEDipole : public Fix {
			public:
			FixNVEDipole(class LAMMPS , int, char *);
			~FixNVEDipole();
			int setmask();
			void init();
			void initial_integrate();
			void final_integrate();
			void initial_integrate_respa(int,int);
			void final_integrate_respa(int);

			private:
			double dtv,dtf;
			double *step_respa;
			double *inertia;
			};

			}

			#endif