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root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 474 by gezelter, Mon Apr 7 21:42:19 2003 UTC vs.
Revision 483 by gezelter, Wed Apr 9 04:06:43 2003 UTC

# Line 152 | Line 152 | void SimInfo::refreshSim(){
152    fInfo.SIM_uses_LJ = useLJ;
153    fInfo.SIM_uses_sticky = useSticky;
154    //fInfo.SIM_uses_sticky = 0;
155 <  //fInfo.SIM_uses_dipoles = useDipole;
156 <  fInfo.SIM_uses_dipoles = 0;
155 >  fInfo.SIM_uses_dipoles = useDipole;
156 >  //fInfo.SIM_uses_dipoles = 0;
157    //fInfo.SIM_uses_RF = useReactionField;
158    fInfo.SIM_uses_RF = 0;
159    fInfo.SIM_uses_GB = useGB;
# Line 163 | Line 163 | void SimInfo::refreshSim(){
163  
164    isError = 0;
165  
166 – //   fInfo;
167 – //   n_atoms;
168 – //   identArray;
169 – //   n_exclude;
170 – //   excludes;
171 – //   nGlobalExcludes;
172 – //   globalExcludes;
173 – //   isError;
174 –
166    setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl,
167 <                  &nGlobalExcludes, globalExcludes, &isError );
167 >                  &nGlobalExcludes, globalExcludes, molMembershipArray,
168 >                  &isError );
169  
170    if( isError ){
171  

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