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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 3009 by gezelter, Wed Sep 20 20:13:40 2006 UTC vs.
Revision 3022 by gezelter, Tue Sep 26 01:30:32 2006 UTC

# Line 163 | Line 163 | int main(int argc, char* argv[]){
163  
164    //parse md file and set up the system
165    SimCreator creator;
166 +  std::cout << "dumpFile = " << dumpFileName << "\n";
167    SimInfo* info = creator.createSim(dumpFileName);
168  
169    RealType maxLen;
# Line 202 | Line 203 | int main(int argc, char* argv[]){
203    } else if (args_info.rp2_given){
204      analyser = new RippleOP(info, dumpFileName, sele1, sele2);
205    } else if (args_info.bo_given){
206 <    if (args_info.rcut_given && args_info.LegendreL_given) {
206 >    if (args_info.rcut_given) {
207        analyser = new BondOrderParameter(info, dumpFileName, sele1,
208                                          args_info.rcut_arg,
208 –                                        args_info.LegendreL_arg,
209                                          args_info.nbins_arg);
210      } else {
211        sprintf( painCave.errMsg,
212 <               "Both the cutoff radius (rcut) and LegendreL must be specified when calculating Bond Order Parameters");
212 >               "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
213        painCave.severity = OOPSE_ERROR;
214        painCave.isFatal = 1;
215        simError();

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