| # | Line 88 | Line 88 | class SimInfo{ (public) | |
|---|---|---|
| 88 | ||
| 89 | ||
| 90 | int usePBC; // whether we use periodic boundry conditions. | |
| 91 | < | int useLJ; |
| 92 | < | int useSticky; |
| 91 | > | int useDirectionalAtoms; |
| 92 | > | int useLennardJones; |
| 93 | > | int useElectrostatics; |
| 94 | int useCharges; | |
| 95 | int useDipoles; | |
| 96 | < | int useReactionField; |
| 97 | < | int useGB; |
| 96 | > | int useSticky; |
| 97 | > | int useGayBerne; |
| 98 | int useEAM; | |
| 99 | + | int useShapes; |
| 100 | + | int useFLARB; |
| 101 | + | int useReactionField; |
| 102 | bool haveCutoffGroups; | |
| 103 | bool useInitXSstate; | |
| 104 | double orthoTolerance; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |