pair_cg_cmm_coul_msm.h
86b6a0044923lammm-devel

pair_cg_cmm_coul_msm.h
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			/* ----------------------------------------------------------------------
			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/coul/msm,PairCGCMMCoulMSM)

			#else

			#ifndef LMP_PAIR_CG_CMM_COUL_MSM_H
			#define LMP_PAIR_CG_CMM_COUL_MSM_H

			#include "pair_cmm_common.h"

			namespace LAMMPS_NS {

			class PairCGCMMCoulMSM : public PairCMMCommon {
			public:
			PairCGCMMCoulMSM(class LAMMPS *);
			~PairCGCMMCoulMSM();

			void compute(int, int);
			void settings(int, char **);
			void init_style();
			double init_one(int, int);

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

			double memory_usage();

			void extract(char str);

			protected:
			void allocate();
			double _ia, _ia2, _ia3;
			int _smooth;
			};

			}

			#endif
			#endif