| # | Line 20 | Line 20 | |
|---|---|---|
| 20 | #include "GenericData.hpp" | |
| 21 | //#include "Minimizer.hpp" | |
| 22 | //#include "OOPSEMinimizer.hpp" | |
| 23 | < | |
| 23 | > | double roundMe( double x ); |
| 24 | class OOPSEMinimizer; | |
| 25 | class SimInfo{ | |
| 26 | ||
| # | Line 91 | Line 91 | class SimInfo{ (public) | |
| 91 | int useReactionField; | |
| 92 | int useGB; | |
| 93 | int useEAM; | |
| 94 | + | int useMolecularCutoffs; |
| 95 | ||
| 96 | bool useInitXSstate; | |
| 97 | double orthoTolerance; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |