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root/OpenMD/trunk/src/applications/hydrodynamics/Hydro.cpp
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Comparing trunk/src/applications/hydrodynamics/Hydro.cpp (file contents):
Revision 921 by tim, Wed Mar 29 18:09:26 2006 UTC vs.
Revision 1027 by gezelter, Wed Aug 30 21:13:57 2006 UTC

# Line 64 | Line 64 | void registerHydrodynamicsModels();
64      Shape* shape;
65   };
66   void registerHydrodynamicsModels();
67 + void writeHydroProps(std::ostream& os);
68  
69   int main(int argc, char* argv[]){
70    //register force fields
# Line 88 | Line 89 | int main(int argc, char* argv[]){
89      exit(1);
90    }
91    
91 –  mdFileName = dumpFileName;
92 –  mdFileName = mdFileName.substr(0, mdFileName.rfind(".")) + ".md";
93 –
92    if (args_info.output_given){
93      prefix = args_info.output_arg;
94    } else {
95 <    prefix = getPrefix(mdFileName);    
95 >    prefix = getPrefix(dumpFileName);    
96    }
97    std::string outputFilename = prefix + ".diff";
98      
99    //parse md file and set up the system
100    SimCreator creator;
101 <  SimInfo* info = creator.createSim(mdFileName, true);
101 >  SimInfo* info = creator.createSim(dumpFileName, true);
102      
103    SimInfo::MoleculeIterator mi;
104    Molecule* mol;
# Line 112 | Line 110 | int main(int argc, char* argv[]){
110    identMat(2,2) = 1.0;
111  
112    Globals* simParams = info->getSimParams();
113 <  double temperature;
114 <  double viscosity;
113 >  RealType temperature;
114 >  RealType viscosity;
115  
116    if (simParams->haveViscosity()) {
117      viscosity = simParams->getViscosity();
# Line 126 | Line 124 | int main(int argc, char* argv[]){
124    if (simParams->haveTargetTemp()) {
125      temperature = simParams->getTargetTemp();
126    } else {
127 <    sprintf(painCave.errMsg, "target temperaturemust be set\n");
127 >    sprintf(painCave.errMsg, "target temperature must be set\n");
128      painCave.isFatal = 1;
129      simError();  
130    }
# Line 181 | Line 179 | int main(int argc, char* argv[]){
179  
180          //if beads option is turned on, skip the calculation
181          if (!args_info.beads_flag) {
182 <            shape->calcHydroProps(model, viscosity, temperature);
183 <            model->writeHydroProps(outputDiff);
182 >          model->calcHydroProps(shape, viscosity, temperature);
183 >          model->writeHydroProps(outputDiff);
184          }
185 <
185 >        
186          delete model;
187    }
188  
# Line 200 | Line 198 | void registerHydrodynamicsModels() {
198      HydrodynamicsModelFactory::getInstance()->registerHydrodynamicsModel(new HydrodynamicsModelBuilder<AnalyticalModel>("AnalyticalModel"));
199  
200   }
203 –

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