--- branches/development/src/optimization/PotentialEnergyObjectiveFunction.hpp 2012/06/05 18:02:44 1741 +++ branches/development/src/optimization/PotentialEnergyObjectiveFunction.hpp 2012/06/06 19:54:09 1748 @@ -46,7 +46,7 @@ #include "optimization/ObjectiveFunction.hpp" #include "brains/ForceManager.hpp" #include "brains/Thermo.hpp" -#include "constraints/Rattle.hpp" +#include "constraints/Shake.hpp" using namespace QuantLib; namespace OpenMD { @@ -71,7 +71,7 @@ namespace OpenMD { SimInfo* info_; ForceManager* forceMan_; - Rattle* rattle_; + Shake* shake_; Thermo thermo; bool usingRattle_; };