fix_wall.h
dc3eaddeceealammm-master-deprecated

fix_wall.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.
			------------------------------------------------------------------------- */

			#ifndef LMP_FIX_WALL_H
			#define LMP_FIX_WALL_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixWall : public Fix {
			public:
			FixWall(class LAMMPS , int, char *);
			virtual ~FixWall() {}
			int setmask();
			virtual void init();
			void setup(int);
			void min_setup(int);
			void post_force(int);
			void post_force_respa(int, int, int);
			void min_post_force(int);
			double compute_scalar();
			double compute_vector(int);

			virtual void precompute(int) = 0;
			virtual void wall_particle(int, double) = 0;

			protected:
			int wallflag[6];
			double coord0[6],epsilon[6],sigma[6],cutoff[6];
			int velflag,wigflag;
			double vel[6],amplitude[6];
			double period,omega;
			int eflag;
			double ewall[7],ewall_all[7];
			int nlevels_respa;
			double dt;
			int time_origin;
			};

			}

			#endif