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root/OpenMD/trunk/src/applications/oopse/oopse.cpp
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Comparing trunk/src/applications/oopse/oopse.cpp (file contents):
Revision 510 by gezelter, Fri Apr 15 22:40:33 2005 UTC vs.
Revision 770 by tim, Fri Dec 2 15:38:03 2005 UTC

# Line 44 | Line 44
44   #endif
45  
46   #include "utils/simError.h"
47 + #include "utils/CaseConversion.hpp"
48   #include "brains/Register.hpp"
49   #include "brains/SimCreator.hpp"
50   #include "brains/SimInfo.hpp"
# Line 122 | Line 123 | int main(int argc,char* argv[]){
123      
124    if (simParams->haveMinimizer()) {
125      //create minimizer
126 <    Minimizer* myMinimizer = MinimizerFactory::getInstance()->createMinimizer(simParams->getMinimizer(), info);
126 >    Minimizer* myMinimizer = MinimizerFactory::getInstance()->createMinimizer(toUpperCopy(simParams->getMinimizer()), info);
127  
128      if (myMinimizer == NULL) {
129        sprintf(painCave.errMsg, "Minimizer Factory can not create %s Minimizer\n",
130 <              simParams->getMinimizer());
130 >              simParams->getMinimizer().c_str());
131        painCave.isFatal = 1;
132        simError();
133      }
# Line 136 | Line 137 | int main(int argc,char* argv[]){
137    } else if (simParams->haveEnsemble()) {
138      //create Integrator
139  
140 <    Integrator* myIntegrator = IntegratorFactory::getInstance()->createIntegrator(simParams->getEnsemble(), info);
141 <
140 >    Integrator* myIntegrator = IntegratorFactory::getInstance()->createIntegrator(toUpperCopy(simParams->getEnsemble()), info);
141 >
142      if (myIntegrator == NULL) {
143        sprintf(painCave.errMsg, "Integrator Factory can not create %s Integrator\n",
144 <              simParams->getEnsemble());
144 >              simParams->getEnsemble().c_str());
145        painCave.isFatal = 1;
146        simError();
147      }
# Line 151 | Line 152 | int main(int argc,char* argv[]){
152  
153  
154      //Zconstraint-Method
155 <    if (simParams->haveZconstraints()) {
156 <      info->setNZconstraint(simParams->getNzConstraints());
155 >    if (simParams->getNZconsStamps() > 0) {
156 >      info->setNZconstraint(simParams->getNZconsStamps());
157        ForceManager* fman = new ZconstraintForceManager(info);
158        myIntegrator->setForceManager(fman);
159      }
# Line 161 | Line 162 | int main(int argc,char* argv[]){
162      delete myIntegrator;
163    }else {
164      sprintf(painCave.errMsg, "Integrator Factory can not create %s Integrator\n",
165 <            simParams->getEnsemble());
165 >            simParams->getEnsemble().c_str());
166      painCave.isFatal = 1;
167      simError();
168    }
# Line 171 | Line 172 | int main(int argc,char* argv[]){
172    delete info;
173  
174   #ifdef IS_MPI
175 <  strcpy( checkPointMsg, "Oh what a lovely Tea Party!" );
175 >  strcpy( checkPointMsg, "Yoikes!  It worked!" );
176    MPIcheckPoint();
177    
178    MPI_Finalize();

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