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 |
# | Content |
---|---|
1 | #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 |