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root/group/trunk/OOPSE_old/src/mdtools/libmdCode/SimInfo.cpp
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Comparing trunk/OOPSE_old/src/mdtools/libmdCode/SimInfo.cpp (file contents):
Revision 348 by mmeineke, Fri Mar 14 21:33:10 2003 UTC vs.
Revision 365 by mmeineke, Tue Mar 18 22:17:31 2003 UTC

# Line 20 | Line 20 | SimInfo::SimInfo(){
20    setTemp = 0;
21    thermalTime = 0.0;
22  
23 +  usePBC = 0;
24 +  useLJ = 0;
25 +  useSticky = 0;
26 +  useDipole = 0;
27 +  useReactionField = 0;
28 +  useGB = 0;
29 +  useEAM = 0;
30 +
31 +
32 +
33    wrapMeSimInfo( this );
34   }
35  
# Line 35 | Line 45 | void SimInfo::refreshSim(){
45    fInfo.rlist = rList;
46    fInfo.rcut = rCut;
47    fInfo.SIM_uses_PBC = usePBC;
48 +  fInfo.SIM_uses_LJ = useLJ;
49 +  fInfo.SIM_uses_sticky = useSticky;
50 +  fInfo.SIM_uses_dipoles = useDipole;
51 +  fInfo.SIM_uses_RF = useReactionField;
52 +  fInfo.SIM_uses_GB = useGB;
53 +  fInfo.SIM_uses_EAM = useEAM;
54  
55 +
56    isError = 0;
57 <  setFsimulation( &fInfo, &isError );
57 >  setFsimulation( &fInfo,
58 >                  &n_atoms,
59 >                  identArray,
60 >                  &n_exclude,
61 >                  excludes,
62 >                  &nGlobalExcludes,
63 >                  globalExcludes,
64 >                  &isError );
65  
66    if( isError ){
67  

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