| Revision: | 2386 |
| Committed: | Tue Oct 18 23:03:27 2005 UTC (18 years, 9 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 |