| # | Line 1 | Line 1 | |
|---|---|---|
| 1 | < | #ifndef __FORCEFIELDS_H__ |
| 1 | > | \#ifndef __FORCEFIELDS_H__ |
| 2 | #define __FORCEFIELDS_H__ | |
| 3 | ||
| 4 | #include <cstdio> | |
| # | Line 41 | Line 41 | class torsion_set{ (public) | |
| 41 | int d; | |
| 42 | }; | |
| 43 | ||
| 44 | – | // typedef struct{ |
| 45 | – | // int a, b; |
| 46 | – | // } bond_pair; |
| 44 | ||
| 48 | – | // typedef struct{ |
| 49 | – | // int a, b, c; |
| 50 | – | // } bend_set; |
| 45 | ||
| 52 | – | // typedef struct{ |
| 53 | – | // int a, b, c, d; |
| 54 | – | // } torsion_set; |
| 55 | – | |
| 56 | – | |
| 46 | class ForceFields{ | |
| 47 | ||
| 48 | public: | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |