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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3427 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-11-18 00:59:12 +00:00
parent a66aa5e0f6
commit 5062206d36
8 changed files with 363 additions and 555 deletions
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src/fix_wall.h Normal file
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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 FIX_WALL_H
#define 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 wflag[6];
double coord0[6],epsilon[6],sigma[6],cutoff[6];
int vflag,aflag;
double vel,amplitude,period,omega;
int eflag;
double ewall[7],ewall_all[7];
int nlevels_respa;
double dt;
};
}
#endif