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root/OpenMD/trunk/src/applications/dynamicProps/DynamicProps.cpp
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Comparing trunk/src/applications/dynamicProps/DynamicProps.cpp (file contents):
Revision 1937 by gezelter, Tue Oct 29 16:02:58 2013 UTC vs.
Revision 2071 by gezelter, Sat Mar 7 21:41:51 2015 UTC

# Line 64 | Line 64
64   #include "applications/dynamicProps/SystemDipoleCorrFunc.hpp"
65   #include "applications/dynamicProps/MomentumCorrFunc.hpp"
66   #include "applications/dynamicProps/cOHz.hpp"
67 + #include "applications/dynamicProps/BondCorrFunc.hpp"
68 + #include "applications/dynamicProps/FreqFlucCorrFunc.hpp"
69  
70   using namespace OpenMD;
71  
# Line 125 | Line 127 | int main(int argc, char* argv[]){
127    SimCreator creator;
128    SimInfo* info = creator.createSim(dumpFileName, false);
129  
130 <  TimeCorrFunc* corrFunc;
130 >  TimeCorrFunc* corrFunc = NULL;
131    if(args_info.sdcorr_given){
132 <    corrFunc = new SystemDipoleCorrFunc(info, dumpFileName, sele1, sele2, memSize);
132 >    corrFunc = new SystemDipoleCorrFunc(info, dumpFileName, sele1, sele2,
133 >                                        memSize);
134    } else if (args_info.selecorr_given){
135      corrFunc = new SelectionCorrFunc(info, dumpFileName, sele1, sele2, memSize);
136    } else if (args_info.dcorr_given){
# Line 139 | Line 142 | int main(int argc, char* argv[]){
142    } else if (args_info.thetacorr_given) {
143      corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2, memSize);
144    } else if (args_info.drcorr_given) {
145 <    corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2, memSize);
145 >    corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2,
146 >                                        memSize);
147    } else if (args_info.vcorr_given) {
148      corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2, memSize);
149 +  } else if (args_info.vcorrZ_given) {
150 +    corrFunc = new VCorrFuncZ(info, dumpFileName, sele1, sele2, memSize);
151 +  } else if (args_info.vcorrR_given) {
152 +    corrFunc = new VCorrFuncR(info, dumpFileName, sele1, sele2, memSize);
153 +  } else if (args_info.bondcorr_given) {
154 +    corrFunc = new BondCorrFunc(info, dumpFileName, sele1, memSize);
155    } else if (args_info.helfandEcorr_given){
156      corrFunc = new EnergyCorrFunc(info, dumpFileName, sele1, sele2, memSize);
157    } else if (args_info.stresscorr_given){
158      corrFunc = new StressCorrFunc(info, dumpFileName, sele1, sele2, memSize);
159    } else if (args_info.momentum_given){
160      corrFunc = new MomentumCorrFunc(info, dumpFileName, sele1, sele2, memSize);
161 +  } else if (args_info.freqfluccorr_given){
162 +    corrFunc = new FreqFlucCorrFunc(info, dumpFileName, sele1, sele2, memSize);
163    } else if (args_info.lcorr_given) {
164 <    int order;
164 >    int order(0);
165      if (args_info.order_given)
166          order = args_info.order_arg;
167      else {
# Line 160 | Line 172 | int main(int argc, char* argv[]){
172        simError();
173      }
174          
175 <    corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order, memSize);
175 >    corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order,
176 >                                    memSize);
177    } else if (args_info.lcorrZ_given) {
178 <    int order;
178 >    int order(0);
179      if (args_info.order_given)
180          order = args_info.order_arg;
181      else {
# Line 173 | Line 186 | int main(int argc, char* argv[]){
186        simError();
187      }
188          
189 <    corrFunc = new LegendreCorrFuncZ(info, dumpFileName, sele1, sele2, order, args_info.nzbins_arg, memSize);
189 >    corrFunc = new LegendreCorrFuncZ(info, dumpFileName, sele1, sele2, order,
190 >                                     args_info.nzbins_arg, memSize);
191  
192    } else if (args_info.cohZ_given) {
193 <    int order;
193 >    int order(0);
194      if (args_info.order_given)
195          order = args_info.order_arg;
196      else {
# Line 187 | Line 201 | int main(int argc, char* argv[]){
201        simError();
202      }
203          
204 <    corrFunc = new COHZ(info, dumpFileName, sele1, sele2, order, args_info.nzbins_arg, memSize);
204 >    corrFunc = new COHZ(info, dumpFileName, sele1, sele2, order,
205 >                        args_info.nzbins_arg, memSize);
206  
207    }
208  

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