Class RosenBrock

• Defined in File rosenbrock.hpp

Inheritance Relationships

Base Type

• public pele::BasePotential (Class BasePotential)

Class Documentation

class RosenBrock : public pele::BasePotential

RosenBrock function with defaults for testing purposes.

Public Functions

inline RosenBrock(double a = 1, double b = 100)

inline virtual ~RosenBrock()

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