fix_smd_wall_surface.h
5f76611ecf24efficient_neuronet

fix_smd_wall_surface.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 FIX_CLASS

			FixStyle(smd/wall_surface,FixSMDWallSurface)

			#else

			#ifndef LMP_FIX_SMD_WALL_SURFACE_H
			#define LMP_FIX_SMD_WALL_SURFACE_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixSMDWallSurface: public Fix {

			public:
			FixSMDWallSurface(class LAMMPS , int, char *);
			virtual ~FixSMDWallSurface();
			int setmask();
			void init();
			void setup(int);
			void min_setup(int);

			int count_words(const char *line);
			void read_triangles(int pass);

			private:
			int first; // flag for first time initialization
			double sublo[3], subhi[3]; // epsilon-extended proc sub-box for adding atoms;
			char *filename;
			int wall_particle_type;
			int wall_molecule_id;
			};
			}

			#endif
			#endif