pele
Python energy landscape explorer
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pele::Optimizer Class Reference

#include <optimizer.h>

Inheritance diagram for pele::Optimizer:
pele::GradientOptimizer pele::LBFGS pele::MODIFIED_FIRE

List of all members.

Public Member Functions

virtual ~Optimizer ()
virtual void one_iteration ()=0
virtual void run ()=0
virtual void run (int const niter)=0
virtual Array< double > get_x () const =0
virtual Array< double > get_g () const =0
virtual double get_f () const =0
virtual double get_rms () const =0
virtual int get_nfev () const =0
virtual int get_niter () const =0
virtual bool success ()=0

Detailed Description

this defines the basic interface for optimizers. All pele optimizers should derive from this class.

Definition at line 19 of file optimizer.h.


Constructor & Destructor Documentation

virtual pele::Optimizer::~Optimizer ( ) [inline, virtual]

virtual destructor

Definition at line 24 of file optimizer.h.


Member Function Documentation

virtual double pele::Optimizer::get_f ( ) const [inline, pure virtual]

Implemented in pele::GradientOptimizer.

virtual Array<double> pele::Optimizer::get_g ( ) const [inline, pure virtual]

Implemented in pele::GradientOptimizer.

virtual int pele::Optimizer::get_nfev ( ) const [inline, pure virtual]

Implemented in pele::GradientOptimizer.

virtual int pele::Optimizer::get_niter ( ) const [inline, pure virtual]

Implemented in pele::GradientOptimizer.

virtual double pele::Optimizer::get_rms ( ) const [inline, pure virtual]

Implemented in pele::GradientOptimizer.

virtual Array<double> pele::Optimizer::get_x ( ) const [inline, pure virtual]

accessors

Implemented in pele::GradientOptimizer.

virtual void pele::Optimizer::one_iteration ( ) [pure virtual]
virtual void pele::Optimizer::run ( ) [pure virtual]

Run the optimization algorithm until the stop criterion is satisfied or until the maximum number of iterations is reached

Implemented in pele::GradientOptimizer.

virtual void pele::Optimizer::run ( int const  niter) [pure virtual]

Run the optimization algorithm for niter iterations or until the stop criterion is satisfied

Implemented in pele::GradientOptimizer.

virtual bool pele::Optimizer::success ( ) [inline, pure virtual]

Implemented in pele::GradientOptimizer.


The documentation for this class was generated from the following file:
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