Class ODEBasedOptimizer

• Defined in File optimizer.hpp

Inheritance Relationships

Base Type

• public pele::GradientOptimizer (Class GradientOptimizer)

Derived Types

• public pele::CVODEBDFOptimizer (Class CVODEBDFOptimizer)

• public pele::CosineGradientDescent (Class CosineGradientDescent)

• public pele::GradientDescent (Class GradientDescent)

• public pele::MODIFIED_FIRE (Class MODIFIED_FIRE)

Class Documentation

class ODEBasedOptimizer : public pele::GradientOptimizer

Abstract base class for optimizers with a concept of time.

Subclassed by pele::CVODEBDFOptimizer, pele::CosineGradientDescent, pele::GradientDescent, pele::MODIFIED_FIRE

Public Functions

inline ODEBasedOptimizer(

std::shared_ptr<pele::BasePotential> potential,

const pele::Array<double> x0,

double tol = 1e-4,

bool save_trajectory = false,

int iterations_before_save = 1,

StopCriterionType stop_criterion = StopCriterionType::GRADIENT

)

inline virtual ~ODEBasedOptimizer()

inline ODEBasedOptimizer(const ODEBasedOptimizer&)

inline ODEBasedOptimizer()

inline std::vector<double> get_time_trajectory()

inline std::vector<double> get_gradient_norm_trajectory()

inline std::vector<double> get_distance_trajectory()

inline std::vector<double> get_energy_trajectory()

inline std::vector<double> get_costly_time_trajectory()

inline std::vector<std::vector<double>> get_coordinate_trajectory()

inline std::vector<std::vector<double>> get_gradient_trajectory()

Protected Functions

inline virtual void update_costly_trajectory_info()

inline virtual void update_cheap_trajectory_info()

Protected Attributes

double time_