# | Line 1 | Line 1 | |
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1 | + | #ifndef __TCPROPS_H__ |
2 | + | #define __TCPROPS_H__ |
3 | ||
2 | – | enum atomNames { HEAD, CH, CH2, CH3, SSD }; |
4 | ||
5 | + | enum atomNames { HEAD, 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 | + | |
16 | + | #endif // __TCPROPS_H__ |
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