# | Line 44 | Line 44 | void SimInfo::refreshSim(){ | |
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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 |