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iterative-solver 0.0
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iterative-solver 0.0
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Optimises to a stationary point using methods such as L-BFGS. More...
#include <IterativeSolver.h>
Optimises to a stationary point using methods such as L-BFGS.
Additional Inherited Members | |
 Public Types inherited from molpro::linalg::itsolv::IterativeSolver< R, Q, P > | |
| using | value_type = typename R::value_type |
| The underlying type of elements of vectors. More... | |
| using | scalar_type = typename array::ArrayHandler< R, Q >::value_type |
| using | value_type_abs = typename array::ArrayHandler< R, R >::value_type_abs |
| using | VectorP = std::vector< value_type > |
| using | fapply_on_p_type = std::function< void(const std::vector< VectorP > &, const CVecRef< P > &, const VecRef< R > &)> |
| Public Member Functions inherited from molpro::linalg::itsolv::IterativeSolver< R, Q, P > | |
| virtual | ~IterativeSolver ()=default |
| IterativeSolver ()=default | |
| IterativeSolver (const IterativeSolver< R, Q, P > &)=delete | |
| IterativeSolver< R, Q, P > & | operator= (const IterativeSolver< R, Q, P > &)=delete |
| IterativeSolver (IterativeSolver< R, Q, P > &&) noexcept=default | |
| IterativeSolver< R, Q, P > & | operator= (IterativeSolver< R, Q, P > &&) noexcept=default |
| virtual bool | solve (const VecRef< R > ¶meters, const VecRef< R > &actions, const Problem< R > &problem, bool generate_initial_guess=false)=0 |
| Simplified one-call solver. More... | |
| virtual bool | solve (R ¶meters, R &actions, const Problem< R > &problem, bool generate_initial_guess=false)=0 |
| virtual bool | solve (std::vector< R > ¶meters, std::vector< R > &actions, const Problem< R > &problem, bool generate_initial_guess=false)=0 |
| virtual int | add_vector (const VecRef< R > ¶meters, const VecRef< R > &actions)=0 |
| Take, typically, a current solution and residual, and add it to the solution space. More... | |
| virtual int | add_vector (std::vector< R > ¶meters, std::vector< R > &action)=0 |
| virtual int | add_vector (R ¶meters, R &action, value_type value=0)=0 |
| virtual size_t | add_p (const CVecRef< P > &pparams, const array::Span< value_type > &pp_action_matrix, const VecRef< R > ¶meters, const VecRef< R > &action, fapply_on_p_type apply_p)=0 |
| Add P-space vectors to the expansion set for linear methods. More... | |
| virtual void | clearP ()=0 |
| virtual void | solution (const std::vector< int > &roots, const VecRef< R > ¶meters, const VecRef< R > &residual)=0 |
| Construct solution and residual for a given set of roots. More... | |
| virtual void | solution_params (const std::vector< int > &roots, const VecRef< R > ¶meters)=0 |
| Constructs parameters of selected roots. More... | |
| virtual size_t | end_iteration (const VecRef< R > ¶meters, const VecRef< R > &residual)=0 |
| Behaviour depends on the solver. More... | |
| virtual bool | end_iteration_needed ()=0 |
| signal whether end_iteration should be called More... | |
| virtual std::vector< size_t > | suggest_p (const CVecRef< R > &solution, const CVecRef< R > &residual, size_t max_number, double threshold)=0 |
| Get the solver's suggestion of which degrees of freedom would be best to add to the P-space. More... | |
| virtual void | solution (const std::vector< int > &roots, std::vector< R > ¶meters, std::vector< R > &residual)=0 |
| virtual void | solution (R ¶meters, R &residual)=0 |
| virtual void | solution_params (const std::vector< int > &roots, std::vector< R > ¶meters)=0 |
| virtual void | solution_params (R ¶meters)=0 |
| virtual size_t | end_iteration (std::vector< R > ¶meters, std::vector< R > &action)=0 |
| virtual size_t | end_iteration (R ¶meters, R &action)=0 |
| virtual const std::vector< int > & | working_set () const =0 |
| Working set of roots that are not yet converged. More... | |
| virtual std::vector< scalar_type > | working_set_eigenvalues () const |
| virtual size_t | n_roots () const =0 |
| virtual void | set_n_roots (size_t nroots)=0 |
| virtual const std::vector< scalar_type > & | errors () const =0 |
| virtual const Statistics & | statistics () const =0 |
| virtual void | report (std::ostream &cout, bool endl=true) const =0 |
| Writes a report to cout output stream. More... | |
| virtual void | report () const =0 |
| Writes a report to std::cout. More... | |
| virtual void | set_convergence_threshold (double thresh)=0 |
| Sets the convergence threshold. More... | |
| virtual double | convergence_threshold () const =0 |
| Reports the convergence threshold. More... | |
| virtual void | set_convergence_threshold_value (double thresh)=0 |
| Sets the value convergence threshold. More... | |
| virtual double | convergence_threshold_value () const =0 |
| Reports the value convergence threshold. More... | |
| virtual void | set_verbosity (Verbosity v)=0 |
| virtual void | set_verbosity (int v)=0 |
| virtual Verbosity | get_verbosity () const =0 |
| virtual void | set_max_iter (int n)=0 |
| virtual int | get_max_iter () const =0 |
| virtual void | set_max_p (int n)=0 |
| virtual int | get_max_p () const =0 |
| virtual void | set_p_threshold (double thresh)=0 |
| virtual double | get_p_threshold () const =0 |
| virtual const subspace::Dimensions & | dimensions () const =0 |
| virtual void | set_options (const Options &options)=0 |
| virtual std::shared_ptr< Options > | get_options () const =0 |
| virtual scalar_type | value () const =0 |
| Report the function value for the current optimum solution. More... | |
| virtual bool | nonlinear () const =0 |
| Report whether the class is a non-linear solver. More... | |
| virtual void | set_profiler (molpro::profiler::Profiler &profiler)=0 |
| Attach a profiler in order to collect performance data. More... | |
| virtual const std::shared_ptr< molpro::profiler::Profiler > & | profiler () const =0 |
| virtual bool | test_problem (const Problem< R > &problem, R &v0, R &v1, int verbosity=0, double threshold=1e-5) const =0 |
| Test a supplied problem class. More... | |
1.9.4