Class XCube

• Defined in File rosenbrock.hpp

Inheritance Relationships

Base Type

• public pele::BasePotential (Class BasePotential)

Class Documentation

class XCube : public pele::BasePotential

1d x cubed function for testing optimizers.

WARNING stop minimization before the energy goes too low.

Public Functions

inline XCube()

inline virtual ~XCube()

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