# | Line 19 | Line 19 | SimInfo::SimInfo(){ | |
---|---|---|
19 | the_integrator = NULL; | |
20 | setTemp = 0; | |
21 | thermalTime = 0.0; | |
22 | + | rCut = 0.0; |
23 | ||
24 | usePBC = 0; | |
25 | useLJ = 0; | |
# | Line 53 | Line 54 | void SimInfo::refreshSim(){ | |
54 | //fInfo.SIM_uses_sticky = useSticky; | |
55 | fInfo.SIM_uses_sticky = 0; | |
56 | fInfo.SIM_uses_dipoles = useDipole; | |
57 | + | //fInfo.SIM_uses_dipoles = 0; |
58 | fInfo.SIM_uses_RF = useReactionField; | |
59 | fInfo.SIM_uses_GB = useGB; | |
60 | fInfo.SIM_uses_EAM = useEAM; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |