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class StrangLBFGSMinimizer
: EnergyMinimizer
{
%TypeHeaderCode
#include <BALL/MOLMEC/MINIMIZATION/strangLBFGS.h>
%End
public:
StrangLBFGSMinimizer();
StrangLBFGSMinimizer(ForceField&);
StrangLBFGSMinimizer(ForceField&, SnapShotManager*);
StrangLBFGSMinimizer(ForceField&, SnapShotManager*, const Options&);
StrangLBFGSMinimizer(ForceField&, const Options&);
~StrangLBFGSMinimizer();
virtual bool specificSetup();
void setMaxNumOfStoredVectPairs(Size);
Size getMaxNumOfStoredVectPairs() const;
void setImprovedFlag(bool);
bool getImprovedFlag() const;
virtual double findStep();
virtual void updateDirection();
virtual bool minimize(Size iterations = 0, bool restart = false);
Options options;
};
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