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root/OpenMD/trunk/src/applications/staticProps/StaticProps.cpp
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Comparing trunk/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 1992 by gezelter, Thu Apr 24 17:30:00 2014 UTC vs.
Revision 1999 by gezelter, Sat May 31 21:00:46 2014 UTC

# Line 78 | Line 78
78   #include "applications/staticProps/TetrahedralityParam.hpp"
79   #include "applications/staticProps/TetrahedralityParamZ.hpp"
80   #include "applications/staticProps/RNEMDStats.hpp"
81 + #include "applications/staticProps/NitrileFrequencyMap.hpp"
82 + #include "applications/staticProps/MultipoleSum.hpp"
83  
84   using namespace OpenMD;
85  
# Line 242 | Line 244 | int main(int argc, char* argv[]){
244        painCave.isFatal = 1;
245        simError();
246      }
247 <    
247 >  } else if (args_info.multipole_given){
248 >    analyser = new MultipoleSum(info, dumpFileName, sele1,
249 >                                maxLen, args_info.nbins_arg);
250    } else if (args_info.tet_param_given) {
251      if (args_info.rcut_given) {  
252        analyser = new TetrahedralityParam(info, dumpFileName, sele1,
# Line 326 | Line 330 | int main(int argc, char* argv[]){
330    } else if (args_info.rnemdrt_given) {
331      analyser = new RNEMDRTheta(info, dumpFileName, sele1,
332                                 args_info.nbins_arg, args_info.nanglebins_arg);
333 +  } else if (args_info.nitrile_given) {
334 +    analyser = new NitrileFrequencyMap(info, dumpFileName, sele1,
335 +                                       args_info.nbins_arg);
336    } else if (args_info.p_angle_given) {
337      if (args_info.sele1_given) {    
338        if (args_info.sele2_given)

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