molpro::linalg::itsolv::Options Struct Reference

Access point for different options in iterative solvers. More...

#include <Options.h>

Inheritance diagram for molpro::linalg::itsolv::Options:

Detailed Description

Access point for different options in iterative solvers.

Public Member Functions
virtual	~Options ()=default
	Options ()=default
	Options (const options_map &opt)
	Initialises options from key/value strings. Unrecognised options are ignored. More...
void	copy (const Options &source)
	copies options from source object More...

Public Attributes
std::optional< double >	convergence_threshold
	convergence threshold More...
std::optional< int >	n_roots
	number of roots to solve for More...
std::optional< Verbosity >	verbosity
	verbosity level during IterativeSolver::solve() More...
std::optional< int >	max_iter
	maximum number of iterations during IterativeSolver::solve() More...
std::optional< double >	max_p
	maximum size of P space More...
std::optional< double >	p_threshold
	threshold for selecting P space More...

Constructor & Destructor Documentation

~Options()

virtual molpro::linalg::itsolv::Options::~Options ( )

virtualdefault

Options() [1/2]

molpro::linalg::itsolv::Options::Options ( )

default

Options() [2/2]

molpro::linalg::itsolv::Options::Options

(

const options_map &

opt

)

Initialises options from key/value strings. Unrecognised options are ignored.

Parameters

opt	keys and values are option name and corresponding value

Member Function Documentation

copy()

void molpro::linalg::itsolv::Options::copy

(

const Options &

source

)

copies options from source object

Note

this is only necessary for internal use and should not be implemented in subclasses.

Member Data Documentation

convergence_threshold

std::optional<double> molpro::linalg::itsolv::Options::convergence_threshold

convergence threshold

max_iter

std::optional<int> molpro::linalg::itsolv::Options::max_iter

maximum number of iterations during IterativeSolver::solve()

max_p

std::optional<double> molpro::linalg::itsolv::Options::max_p

maximum size of P space

n_roots

std::optional<int> molpro::linalg::itsolv::Options::n_roots

number of roots to solve for

p_threshold

std::optional<double> molpro::linalg::itsolv::Options::p_threshold

threshold for selecting P space

verbosity

std::optional<Verbosity> molpro::linalg::itsolv::Options::verbosity

verbosity level during IterativeSolver::solve()