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root/OpenMD/trunk/src/flucq/FluctuatingChargePropagator.cpp
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Comparing branches/development/src/flucq/FluctuatingChargePropagator.cpp (file contents):
Revision 1739 by gezelter, Tue Jun 5 17:58:55 2012 UTC vs.
Revision 1748 by gezelter, Wed Jun 6 19:54:09 2012 UTC

# Line 92 | Line 92 | namespace OpenMD {
92  
93      std::cerr << "doing a minimization\n";
94      
95 +    fqConstraints_ = new FluctuatingChargeConstraints(info_);
96      FluctuatingChargeObjectiveFunction flucQobjf(info_, forceMan_, fqConstraints_);    
97      DynamicVector<RealType> initCoords = flucQobjf.setInitialCoords();
98      Problem problem(flucQobjf, *(new NoConstraint()), *(new NoStatus()), initCoords);

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