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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 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1098 by chuckv, Thu Dec 14 19:38:56 2006 UTC

# Line 52 | Line 52
52   #include "applications/dynamicProps/DipoleCorrFunc.hpp"
53   #include "applications/dynamicProps/RCorrFunc.hpp"
54   #include "applications/dynamicProps/VCorrFunc.hpp"
55 + #include "applications/dynamicProps/LegendreCorrFunc.hpp"
56 + #include "applications/dynamicProps/RadialRCorrFunc.hpp"
57  
58 +
59   using namespace oopse;
60  
61   int main(int argc, char* argv[]){
# Line 70 | Line 73 | int main(int argc, char* argv[]){
73  
74    //get the dumpfile name and meta-data file name
75    std::string dumpFileName = args_info.input_arg;
73 –
74 –  std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md";
75 –
76      
77    std::string sele1;
78    std::string sele2;
# Line 105 | Line 105 | int main(int argc, char* argv[]){
105  
106    //parse md file and set up the system
107    SimCreator creator;
108 <  SimInfo* info = creator.createSim(mdFileName, false);
108 >  SimInfo* info = creator.createSim(dumpFileName, false);
109  
110  
111    TimeCorrFunc* corrFunc;
# Line 113 | Line 113 | int main(int argc, char* argv[]){
113      corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2);
114    } else if (args_info.rcorr_given) {
115      corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2);
116 +  } else if (args_info.r_rcorr_given) {
117 +    corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2);
118    }
119    else if (args_info.vcorr_given) {
120      corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);
121 +  } else if (args_info.lcorr_given) {
122 +    int order;
123 +    if (args_info.order_given)
124 +        order = args_info.order_arg;
125 +    else {
126 +      sprintf( painCave.errMsg,
127 +               "--order must be set if --lcoor is set\n");
128 +      painCave.severity = OOPSE_ERROR;
129 +      painCave.isFatal = 1;
130 +      simError();
131 +    }
132 +        
133 +    corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order);
134    }
135  
136    if (args_info.output_given) {

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