mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <optimizer.h>
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 |
this defines the basic interface for optimizers. All pele optimizers should derive from this class.
Definition at line 19 of file optimizer.h.
virtual pele::Optimizer::~Optimizer | ( | ) | [inline, virtual] |
virtual destructor
Definition at line 24 of file optimizer.h.
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] |
Implemented in pele::GradientOptimizer, pele::MODIFIED_FIRE, and pele::LBFGS.
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.