| # | Line 1 | Line 1 | |
|---|---|---|
| 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 ); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |