iterative-solver 0.0
 
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OptimizeBFGSOptions.h
1#ifndef LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_OPTIMIZEOPTIONSBFGS_H
2#define LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_OPTIMIZEOPTIONSBFGS_H
3#include <molpro/linalg/itsolv/Options.h>
4#include <string>
13 std::optional<int> max_size_qspace;
14 std::optional<double> norm_thresh;
15 std::optional<double> svd_thresh;
16 std::optional<bool> strong_Wolfe;
17 std::optional<double> Wolfe_1;
18 std::optional<double> Wolfe_2;
19 std::optional<double>
21 std::optional<double> linesearch_grow_factor;
23 std::optional<double> quasinewton_maximum_step;
24};
25
26} // namespace molpro::linalg::itsolv
27
28#endif // LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_OPTIMIZEOPTIONSBFGS_H
4-parameter interpolation of a 1-dimensional function given two points for which function values and ...
Definition helper.h:14
std::unique_ptr< LinearEigensystem< R, Q, P > > create_LinearEigensystem(const LinearEigensystemOptions &options, const std::shared_ptr< ArrayHandlers< R, Q, P > > &handlers=std::make_shared< molpro::linalg::itsolv::ArrayHandlers< R, Q, P > >())
Definition SolverFactory.h:111
std::map< std::string, std::string > options_map
Definition options_map.h:8
Allows setting and getting of options for OptimizeBFGS instance via IterativeSolver base class.
Definition OptimizeBFGSOptions.h:9
std::optional< double > quasinewton_maximum_step
Quasi-Newton steps with an L-2 norm larger than this will be scaled down to this value.
Definition OptimizeBFGSOptions.h:23
std::optional< double > norm_thresh
Definition OptimizeBFGSOptions.h:14
std::optional< double > Wolfe_2
Acceptance parameter for function gradient.
Definition OptimizeBFGSOptions.h:18
std::optional< double > Wolfe_1
Acceptance parameter for function value.
Definition OptimizeBFGSOptions.h:17
std::optional< int > max_size_qspace
Maximum number of previous iterations kept in the subspace. Default: 20.
Definition OptimizeBFGSOptions.h:13
std::optional< double > linesearch_tolerance
If the predicted line search is within tolerance of 1, don't bother taking it.
Definition OptimizeBFGSOptions.h:20
std::optional< bool > strong_Wolfe
Whether to use strong or weak Wolfe conditions.
Definition OptimizeBFGSOptions.h:16
std::optional< double > svd_thresh
Definition OptimizeBFGSOptions.h:15
std::optional< double > linesearch_grow_factor
Definition OptimizeBFGSOptions.h:21