pair_cg_cmm.h
221499203559master

pair_cg_cmm.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 PAIR_CLASS

			PairStyle(cg/cmm/old,PairCGCMM)

			#else

			#ifndef LMP_PAIR_CG_CMM_H
			#define LMP_PAIR_CG_CMM_H

			#include "pair_cmm_common.h"

			namespace LAMMPS_NS {

			class PairCGCMM : public PairCMMCommon {

			public:

			PairCGCMM(class LAMMPS *);
			virtual ~PairCGCMM();

			void compute(int, int);
			void compute_inner();
			void compute_middle();
			void compute_outer(int, int);

			void write_restart(FILE *);
			void read_restart(FILE *);

			double single(int, int, int, int, double, double, double, double &);

			private:
			// disable default constructor
			PairCGCMM();
			};
			}

			#endif
			#endif