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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 365 by mmeineke, Tue Mar 18 22:17:31 2003 UTC vs.
Revision 370 by mmeineke, Thu Mar 20 17:10:43 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;
49 +  fInfo.dielect = dielectric;
50 +
51 +
52    fInfo.SIM_uses_PBC = usePBC;
53    fInfo.SIM_uses_LJ = useLJ;
54    fInfo.SIM_uses_sticky = useSticky;
# Line 54 | Line 59 | void SimInfo::refreshSim(){
59  
60  
61    isError = 0;
57 –  setFsimulation( &fInfo,
58 –                  &n_atoms,
59 –                  identArray,
60 –                  &n_exclude,
61 –                  excludes,
62 –                  &nGlobalExcludes,
63 –                  globalExcludes,
64 –                  &isError );
62  
63 +  fInfo;
64 +  n_atoms;
65 +  identArray;
66 +  n_exclude;
67 +  excludes;
68 +  nGlobalExcludes;
69 +  globalExcludes;
70 +  isError;
71 +
72 +  setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excludes, &nGlobalExcludes, globalExcludes, &isError );
73 +
74    if( isError ){
75  
76      sprintf( painCave.errMsg,

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