1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
/* -*- 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(wall/reflect,FixWallReflect)
#else
#ifndef LMP_FIX_WALL_REFLECT_H
#define LMP_FIX_WALL_REFLECT_H
#include "fix.h"
namespace LAMMPS_NS {
class FixWallReflect : public Fix {
public:
FixWallReflect(class LAMMPS *, int, char **);
virtual ~FixWallReflect();
int setmask();
void init();
void post_integrate();
protected:
int nwall;
int wallwhich[6],wallstyle[6];
double coord0[6];
char *varstr[6];
int varindex[6];
int varflag;
double xscale,yscale,zscale;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Wall defined twice in fix wall/reflect command
Self-explanatory.
E: Cannot use fix wall/reflect in periodic dimension
Self-explanatory.
E: Cannot use fix wall/reflect zlo/zhi for a 2d simulation
Self-explanatory.
E: Variable name for fix wall/reflect does not exist
Self-explanatory.
E: Variable for fix wall/reflect is invalid style
Only equal-style variables can be used.
W: Should not allow rigid bodies to bounce off relecting walls
LAMMPS allows this, but their dynamics are not computed correctly.
*/