iterative-solver 0.0
LinearEquationsDavidsonOptions.h
1#ifndef LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_LINEAREQUATIONSDAVIDSONOPTIONS_H
2#define LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_LINEAREQUATIONSDAVIDSONOPTIONS_H
3#include <molpro/linalg/itsolv/Options.h>
11
12 std::optional<int> reset_D;
13 std::optional<int> reset_D_max_Q_size;
14 std::optional<int> max_size_qspace;
15 std::optional<double> norm_thresh;
16 std::optional<double> svd_thresh;
17 std::optional<bool> hermiticity;
18 std::optional<double> augmented_hessian;
19};
20
21} // namespace molpro::linalg::itsolv
22
23#endif // LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_LINEAREQUATIONSDAVIDSONOPTIONS_H
4-parameter interpolation of a 1-dimensional function given two points for which function values and ...
Definition: helper.h:10
std::map< std::string, std::string > options_map
Definition: options_map.h:8
Allows setting and getting of options for LinearEquationsDavidson instance via IterativeSolver base c...
Definition: LinearEquationsDavidsonOptions.h:8
std::optional< bool > hermiticity
Definition: LinearEquationsDavidsonOptions.h:17
std::optional< double > augmented_hessian
Definition: LinearEquationsDavidsonOptions.h:18
std::optional< int > reset_D
Definition: LinearEquationsDavidsonOptions.h:12
std::optional< int > reset_D_max_Q_size
Definition: LinearEquationsDavidsonOptions.h:13
std::optional< int > max_size_qspace
Definition: LinearEquationsDavidsonOptions.h:14
std::optional< double > svd_thresh
Definition: LinearEquationsDavidsonOptions.h:16
std::optional< double > norm_thresh
Definition: LinearEquationsDavidsonOptions.h:15