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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 916 by tim, Fri Mar 24 16:49:09 2006 UTC vs.
Revision 1213 by xsun, Wed Jan 23 21:21:50 2008 UTC

# Line 50 | Line 50
50  
51   #include "applications/dynamicProps/DynamicPropsCmd.h"
52   #include "applications/dynamicProps/DipoleCorrFunc.hpp"
53 – #include "applications/dynamicProps/RMSD.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 + #include "applications/dynamicProps/ThetaCorrFunc.hpp"
58 + #include "applications/dynamicProps/DirectionalRCorrFunc.hpp"
59  
60  
61   using namespace oopse;
# Line 73 | Line 75 | int main(int argc, char* argv[]){
75  
76    //get the dumpfile name and meta-data file name
77    std::string dumpFileName = args_info.input_arg;
76 –
77 –  std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md";
78 –
78      
79    std::string sele1;
80    std::string sele2;
# Line 108 | Line 107 | int main(int argc, char* argv[]){
107  
108    //parse md file and set up the system
109    SimCreator creator;
110 <  SimInfo* info = creator.createSim(mdFileName, false);
110 >  SimInfo* info = creator.createSim(dumpFileName, false);
111  
112  
113    TimeCorrFunc* corrFunc;
114 <  if (args_info.rmsd_given) {
116 <    corrFunc = new RMSD(info, dumpFileName, sele1, sele2);
117 <  } else if (args_info.dcorr_given){
114 >  if (args_info.dcorr_given){
115      corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2);
116    } else if (args_info.rcorr_given) {
117      corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2);
118 +  } else if (args_info.r_rcorr_given) {
119 +    corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2);
120 +  } else if (args_info.thetacorr_given) {
121 +    corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2);
122 +  } else if (args_info.drcorr_given) {
123 +    corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2);
124    }
125    else if (args_info.vcorr_given) {
126      corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);

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