Class ExtendedMixedOptimizer#

Inheritance Relationships#

Base Type#

Class Documentation#

class ExtendedMixedOptimizer : public pele::GradientOptimizer#

Public Functions

ExtendedMixedOptimizer(
std::shared_ptr<pele::BasePotential> potential,
const pele::Array<double> x0,
std::shared_ptr<pele::BasePotential> potential_extension = nullptr,
double tol = 1e-4,
int T = 10,
double step = 1,
double conv_tol = 1e-8,
double rtol = 1e-5,
double atol = 1e-5,
bool iterative = false,
Array<double> global_symmetry_offset = Array<double>(0),
bool save_trajectory = false,
int iterations_before_save = 1,
StopCriterionType stop_criterion = StopCriterionType::GRADIENT
)#

Constructor.

virtual ~ExtendedMixedOptimizer()#

Destructor.

void free_cvode_objects()#
virtual void one_iteration()#

Do one iteration iteration of the optimization algorithm.

virtual void reset(pele::Array<double> &x0)#

reset the optimizer to start a new minimization from x0

void reset_cvode()#

reset cvode data

void reset_newton()#

reset the newton method

inline virtual int get_nhev() const#
inline int get_nhev_extended() const#
inline int get_n_phase_1_steps()#
inline int get_n_phase_2_steps()#
inline int get_n_failed_phase_2_steps()#