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root/OpenMD/trunk/src/optimization/PotentialEnergyObjectiveFunction.hpp
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Comparing:
branches/development/src/optimization/PotentialEnergyObjectiveFunction.hpp (file contents), Revision 1741 by gezelter, Tue Jun 5 18:02:44 2012 UTC vs.
trunk/src/optimization/PotentialEnergyObjectiveFunction.hpp (file contents), Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

# Line 46 | Line 46
46   #include "optimization/ObjectiveFunction.hpp"
47   #include "brains/ForceManager.hpp"
48   #include "brains/Thermo.hpp"
49 < #include "constraints/Rattle.hpp"
49 > #include "constraints/Shake.hpp"
50  
51   using namespace QuantLib;
52   namespace OpenMD {
# Line 71 | Line 71 | namespace OpenMD {
71  
72      SimInfo* info_;
73      ForceManager* forceMan_;
74 <    Rattle* rattle_;
74 >    Shake* shake_;
75      Thermo thermo;
76      bool usingRattle_;
77    };

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