Revision: | 2386 |
Committed: | Tue Oct 18 23:03:27 2005 UTC (18 years, 10 months ago) by gezelter |
File size: | 460 byte(s) |
Log Message: | added samples for the cutoff methods that Yang Zheng has been working on |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2386 | #ifndef __LJ_MD__ |
2 | #define __LJ_MD__ | ||
3 | |||
4 | molecule{ | ||
5 | name = "Ar"; | ||
6 | nAtoms = 1; | ||
7 | atom[0]{ | ||
8 | type="Ar"; | ||
9 | position( 0.0, 0.0, 0.0 ); | ||
10 | } | ||
11 | } | ||
12 | molecule{ | ||
13 | name = "Ne"; | ||
14 | nAtoms = 1; | ||
15 | atom[0]{ | ||
16 | type="Ne"; | ||
17 | position( 0.0, 0.0, 0.0 ); | ||
18 | } | ||
19 | } | ||
20 | molecule{ | ||
21 | name = "He"; | ||
22 | nAtoms = 1; | ||
23 | atom[0]{ | ||
24 | type="He"; | ||
25 | position( 0.0, 0.0, 0.0 ); | ||
26 | } | ||
27 | } | ||
28 | molecule{ | ||
29 | name = "Kr"; | ||
30 | nAtoms = 1; | ||
31 | atom[0]{ | ||
32 | type="Kr"; | ||
33 | position( 0.0, 0.0, 0.0 ); | ||
34 | } | ||
35 | } | ||
36 | #endif |