| # | 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 |