tblite_fit_settings::fit_settings Type Reference

Optimization configuration. More...

Inheritance diagram for tblite_fit_settings::fit_settings:

Public Member Functions
procedure	load_from_toml (self, table, error)
	Read parametrization data from TOML data structure.
procedure	dump_to_toml (self, table, error)
	Write parametrization data to TOML data structure.
Public Member Functions inherited from tblite_param_serde::serde_record
generic	load (self, file, error)
	Reading of parametrization data.
generic	load (self, unit, error)
	Reading of parametrization data.
generic	load (self, table, error)
	Reading of parametrization data.
procedure(load_from_toml), deferred	load_from_toml (self, table, error)
	Read parametrization data from TOML data structure.
generic	dump (self, file, error)
	Writing of parametrization data.
generic	dump (self, unit, error)
	Writing of parametrization data.
generic	dump (self, table, error)
	Writing of parametrization data.
procedure(dump_to_toml), deferred	dump_to_toml (self, table, error)
	Write parametrization data to TOML data structure.

Data Fields
character(len=:), allocatable	method
character(len=:), allocatable	script
character(len=:), allocatable	output
character(len=:), allocatable	fitpar
logical	relative
integer	max_iter
real(wp)	trustr
type(param_record), allocatable	base
type(param_mask)	mask

Detailed Description

Optimization configuration.

Member Function/Subroutine Documentation

dump_to_toml()

procedure tblite_fit_settings::fit_settings::dump_to_toml	(	class(fit_settings), intent(in)	self,
		type(toml_table), intent(inout)	table,
		type(error_type), intent(out), allocatable	error )

Write parametrization data to TOML data structure.

Parameters

[in]	self	Instance of the parametrization data
[in,out]	table	Data structure
[out]	error	Error handling

load_from_toml()

procedure tblite_fit_settings::fit_settings::load_from_toml	(	class(fit_settings), intent(inout)	self,
		type(toml_table), intent(inout)	table,
		type(error_type), intent(out), allocatable	error )

Read parametrization data from TOML data structure.

Parameters

[in,out]	self	Instance of the parametrization data
[in,out]	table	Data structure
[out]	error	Error handling

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The documentation for this type was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/fit/settings.f90