| # | Line 2 | Line 2 | enum atomNames { HEAD, CH, CH2, CH3, SSD }; | |
|---|---|---|
| 2 | #define __TCPROPS_H__ | |
| 3 | ||
| 4 | ||
| 5 | < | enum atomNames { HEAD, CH, CH2, CH3, SSD }; |
| 5 | > | enum atomNames { HEAD=0, CH, CH2, CH3, SSD, COM }; |
| 6 | ||
| 7 | struct atomCoord{ | |
| 8 | enum atomNames type; | |
| 9 | double pos[3]; | |
| 10 | double vel[3]; | |
| 11 | double u[3]; | |
| 12 | + | double mass; |
| 13 | }; | |
| 14 | ||
| 15 | ||
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