| # | Line 44 | Line 44 | void SimInfo::refreshSim(){ | |
|---|---|---|
| 44 | ||
| 45 | fInfo.rlist = rList; | |
| 46 | fInfo.rcut = rCut; | |
| 47 | < | fInfo.rrf = rRF; |
| 48 | < | fInfo.rt = 0.95 * rRF; |
| 47 | > | fInfo.rrf = ecr; |
| 48 | > | fInfo.rt = ecr - est; |
| 49 | fInfo.dielect = dielectric; | |
| 50 | – | |
| 50 | ||
| 51 | fInfo.SIM_uses_PBC = usePBC; | |
| 52 | fInfo.SIM_uses_LJ = useLJ; | |
| 53 | < | fInfo.SIM_uses_sticky = useSticky; |
| 53 | > | //fInfo.SIM_uses_sticky = useSticky; |
| 54 | > | fInfo.SIM_uses_sticky = 0; |
| 55 | fInfo.SIM_uses_dipoles = useDipole; | |
| 56 | fInfo.SIM_uses_RF = useReactionField; | |
| 57 | fInfo.SIM_uses_GB = useGB; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |