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root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
(Generate patch)

Comparing:
branches/mmeineke/OOPSE/libmdtools/SimInfo.cpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/SimInfo.cpp (file contents), Revision 394 by gezelter, Mon Mar 24 21:55:34 2003 UTC

# 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;

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