Class CVODEBDFOptimizer#

Inheritance Relationships#

Base Type#

Class Documentation#

class CVODEBDFOptimizer : public pele::ODEBasedOptimizer#

Not exactly an optimizer but solves for the differential equation \( dx/dt = - \nabla{V(x)} \) to arrive at the trajectory to the corresponding minimum.

Public Functions

virtual void one_iteration()#

Do one iteration iteration of the optimization algorithm.

CVODEBDFOptimizer(
std::shared_ptr<pele::BasePotential> potential,
const pele::Array<double> x0,
double tol = 1e-5,
double rtol = 1e-5,
double atol = 1e-5,
HessianType hessian_type = DENSE,
bool use_newton_stop_criterion = false,
bool save_trajectory = false,
int iterations_before_save = 1,
double newton_tol = 1e-5,
double offset_factor = 0.1
)#
~CVODEBDFOptimizer()#
inline CVODEBDFOptimizer(const CVODEBDFOptimizer&)#
inline CVODEBDFOptimizer &operator=(const CVODEBDFOptimizer &other)#
inline virtual int get_nhev() const#
inline virtual void reset(Array<double> &x0)#
virtual bool stop_criterion_satisfied()#

Return true if the termination condition is satisfied, false otherwise.

Protected Attributes

double H02#