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root/group/trunk/OOPSE-4/src/applications/staticProps/StaticProps.cpp
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Comparing trunk/OOPSE-4/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 2010 by tim, Sun Feb 13 20:05:42 2005 UTC vs.
Revision 2020 by tim, Mon Feb 14 18:51:48 2005 UTC

# Line 111 | Line 111 | int main(int argc, char* argv[]){
111  
112      //parse md file and set up the system
113      SimCreator creator;
114 <    SimInfo* info = creator.createSim(mdFileName, false);
114 >    SimInfo* info = creator.createSim(mdFileName);
115  
116      double maxLen;
117      if (args_info.length_given) {
118          maxLen = args_info.length_arg;
119      } else {
120 <        double rcut;
121 <        double rsw;
122 <        info->getCutoff(rcut, rsw);
123 <        maxLen = rcut + rsw;        
120 >        Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
121 >        maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;        
122      }
123      
124  

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