Class Saddle

• Defined in File rosenbrock.hpp

Inheritance Relationships

Base Type

• public pele::BasePotential (Class BasePotential)

Class Documentation

class Saddle : public pele::BasePotential

Saddle point function for optimizer testing purposes.

Public Functions

inline Saddle(double a2 = 2, double b2 = 2, double a4 = 1, double b4 = 1)

inline virtual ~Saddle()

inline virtual double get_energy(Array<double> const &x)

Return the energy of configuration x.

This is the only function which must be overloaded

inline virtual double get_energy_gradient(

Array<double> const &x,

Array<double> &grad

)

compute the energy and gradient.

If not overloaded it will compute the numerical gradient