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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 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