# | Line 88 | Line 88 | class SimInfo{ (public) | |
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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; |
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