tblite_scf_mixer_broyden Module Reference

Implementation of a modified Broyden mixing. More...

Data Types
type	broyden_input
	Configuration for the Broyden mixer. More...
type	broyden_mixer
	Electronic mixer using modified Broyden scheme. More...

Functions/Subroutines
subroutine, public	new_broyden (self, ndim, input)
	Create new instance of electronic mixer.

Detailed Description

Implementation of a modified Broyden mixing.

Function/Subroutine Documentation

new_broyden()

subroutine, public tblite_scf_mixer_broyden::new_broyden	(	type(broyden_mixer), intent(out)	self,
		integer, intent(in)	ndim,
		type(broyden_input), intent(in)	input )

Create new instance of electronic mixer.

Parameters

[out]	self	Instance of the mixer
[in]	ndim	Number of variables to consider
[in]	input	Configuration of the Broyden mixer