pair_colloid.h
d71efd0c137fmaster

pair_colloid.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 PAIR_COLLOID_H
			#define PAIR_COLLOID_H

			#include "pair.h"

			namespace LAMMPS_NS {

			class PairColloid : public Pair {
			public:
			PairColloid(class LAMMPS *);
			~PairColloid();
			void compute(int, int);
			void settings(int, char **);
			void coeff(int, char **);
			double init_one(int, int);
			void write_restart(FILE *);
			void read_restart(FILE *);
			void write_restart_settings(FILE *);
			void read_restart_settings(FILE *);
			void single(int, int, int, int, double, double, double, int, One &);

			private:
			double cut_global;
			double **cut;
			double a12,d1,d2,a1,a2,offset;
			double sigma,sigma3,**sigma6;
			double lj1,lj2,lj3,lj4;
			int **form;

			void allocate();
			};

			}

			#endif