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root/group/trunk/OOPSE/libmdtools/SimSetup.cpp
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Comparing trunk/OOPSE/libmdtools/SimSetup.cpp (file contents):
Revision 1031 by tim, Fri Feb 6 18:58:06 2004 UTC vs.
Revision 1035 by tim, Fri Feb 6 21:37:59 2004 UTC

# Line 1712 | Line 1712 | void SimSetup::makeMinimizer(){
1712   }
1713  
1714   void SimSetup::makeMinimizer(){
1715 < /*  
1715 >
1716    OOPSEMinimizerBase* myOOPSEMinimizerBase;
1717    ObjFunctor1 * objFunc;
1718    OutputFunctor* outputFunc;
# Line 1725 | Line 1725 | void SimSetup::makeMinimizer(){
1725      //creat
1726      myOOPSEMinimizerBase = new OOPSEMinimizerBase(&(info[i]), the_ff);
1727  
1728 +     info[i].the_integrator = myOOPSEMinimizerBase;
1729      //creat the object functor;
1730      objFunc = (ObjFunctor1*) new ClassMemObjFunctor1<OOPSEMinimizerBase>
1731                                                (myOOPSEMinimizerBase, &OOPSEMinimizerBase::calcGradient);
# Line 1737 | Line 1738 | void SimSetup::makeMinimizer(){
1738      dim = myOOPSEMinimizerBase->getDim();    
1739      nlp = new ConcreteNLModel1(dim, objFunc);
1740  
1741 +    nlp->setX(myOOPSEMinimizerBase->getCoor());
1742 +
1743      //prepare parameter set for minimizer
1744      param = new MinimizerParameterSet();
1745      param->setDefaultParameter();
# Line 1782 | Line 1785 | void SimSetup::makeMinimizer(){
1785       info[i].the_minimizer = minimizer;
1786       info[i].has_minimizer = true;
1787    }
1788 < */
1788 >
1789   }

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