pair_cg_cmm_coul_cut.h
3d36d38a5183efficient_neuronet

pair_cg_cmm_coul_cut.h
View Options

			/* ----------------------------------------------------------------------
			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/cut/old,PairCGCMMCoulCut)

			#else

			#ifndef LMP_PAIR_CG_CMM_COUL_CUT_H
			#define LMP_PAIR_CG_CMM_COUL_CUT_H

			#include "pair_cmm_common.h"

			namespace LAMMPS_NS {

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

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

			void init_style();
			double init_one(int, int);

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

			double memory_usage();

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

			protected:
			void allocate();
			};
			}

			#endif
			#endif