# | Line 1 | Line 1 | |
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1 | #ifndef __LJ_MD__ | |
2 | #define __LJ_MD__ | |
3 | – | |
3 | molecule{ | |
4 | name = "Ar"; | |
5 | < | nAtoms = 1; |
5 | > | |
6 | atom[0]{ | |
7 | type="Ar"; | |
8 | position( 0.0, 0.0, 0.0 ); | |
9 | } | |
10 | } | |
11 | molecule{ | |
12 | + | name = "Kr"; |
13 | + | |
14 | + | atom[0]{ |
15 | + | type="Kr"; |
16 | + | position( 0.0, 0.0, 0.0 ); |
17 | + | } |
18 | + | } |
19 | + | molecule{ |
20 | name = "Ne"; | |
21 | < | nAtoms = 1; |
21 | > | |
22 | atom[0]{ | |
23 | type="Ne"; | |
24 | position( 0.0, 0.0, 0.0 ); | |
# | Line 19 | Line 26 | molecule{ | |
26 | } | |
27 | molecule{ | |
28 | name = "He"; | |
29 | < | nAtoms = 1; |
29 | > | |
30 | atom[0]{ | |
31 | type="He"; | |
32 | position( 0.0, 0.0, 0.0 ); |
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+ | Added lines |
< | Changed lines |
> | Changed lines |