| Revision: | 45 |
| Committed: | Tue Jul 23 16:08:35 2002 UTC (22 years, 9 months ago) by mmeineke |
| Content type: | text/plain |
| File size: | 322 byte(s) |
| Log Message: | got the GofR code working, and slimmed down the memory usage. |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | mmeineke | 44 | #ifndef __MADPROPS_H__ |
| 2 | #define __MADPROPS_H__ | ||
| 3 | |||
| 4 | struct coords{ | ||
| 5 | mmeineke | 45 | double x; |
| 6 | double y; | ||
| 7 | double z; | ||
| 8 | mmeineke | 44 | }; |
| 9 | |||
| 10 | mmeineke | 45 | typedef char atomID[30]; |
| 11 | |||
| 12 | mmeineke | 44 | struct vect{ |
| 13 | mmeineke | 45 | double x; |
| 14 | double y; | ||
| 15 | double z; | ||
| 16 | mmeineke | 44 | }; |
| 17 | |||
| 18 | |||
| 19 | struct xyz_frame{ | ||
| 20 | mmeineke | 45 | int nAtoms; |
| 21 | double time; | ||
| 22 | double boxX, boxY, boxZ; | ||
| 23 | struct coords *r; | ||
| 24 | struct vect *v; | ||
| 25 | atomID *names; | ||
| 26 | mmeineke | 44 | }; |
| 27 | |||
| 28 | #endif |