| Revision: | 1937 |
| Committed: | Tue Oct 29 16:02:58 2013 UTC (11 years, 8 months ago) by gezelter |
| File size: | 424 byte(s) |
| Log Message: | Fixed a few bugs and added some sanity checks in the analysis codes. |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | chuckv | 825 | #ifndef __METALS_MD__ |
| 2 | #define __METALS_MD__ | ||
| 3 | |||
| 4 | molecule{ | ||
| 5 | name = "Au"; | ||
| 6 | |||
| 7 | atom[0]{ | ||
| 8 | type="Au"; | ||
| 9 | position( 0.0, 0.0, 0.0 ); | ||
| 10 | } | ||
| 11 | } | ||
| 12 | molecule{ | ||
| 13 | name = "Ag"; | ||
| 14 | |||
| 15 | atom[0]{ | ||
| 16 | type="Ag"; | ||
| 17 | position( 0.0, 0.0, 0.0 ); | ||
| 18 | } | ||
| 19 | } | ||
| 20 | molecule{ | ||
| 21 | name = "Pt"; | ||
| 22 | |||
| 23 | atom[0]{ | ||
| 24 | type="Pt"; | ||
| 25 | position( 0.0, 0.0, 0.0 ); | ||
| 26 | } | ||
| 27 | } | ||
| 28 | gezelter | 1937 | molecule{ |
| 29 | name = "Pd"; | ||
| 30 | |||
| 31 | atom[0]{ | ||
| 32 | type="Pd"; | ||
| 33 | position( 0.0, 0.0, 0.0 ); | ||
| 34 | } | ||
| 35 | } | ||
| 36 | chuckv | 825 | #endif |