pair_mdpd_rhosum.h
79d5ca669dcblammm-devel

pair_mdpd_rhosum.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(mdpd/rhosum,PairMDPDRhoSum)

			#else

			#ifndef LMP_PAIR_MDPD_RHOSUM_H
			#define LMP_PAIR_MDPD_RHOSUM_H

			#include "pair.h"

			namespace LAMMPS_NS {

			class PairMDPDRhoSum : public Pair {
			public:
			PairMDPDRhoSum(class LAMMPS *);
			virtual ~PairMDPDRhoSum();
			void init_style();
			virtual void compute(int, int);
			void settings(int, char **);
			void coeff(int, char **);
			virtual double init_one(int, int);
			virtual double single(int, int, int, int, double, double, double, double &);
			int pack_forward_comm(int, int , double , int, int *);
			void unpack_forward_comm(int, int, double *);

			protected:
			double **cut;
			int first;

			void allocate();
			};

			}

			#endif
			#endif