Diagonal G²/(G²+q0²) residual filter. More...

#include <kerker.hpp>

Inheritance diagram for q3::KerkerPreconditioner:

Public Member Functions
	KerkerPreconditioner (const std::vector< Real > &g_squared, Real q0_squared, int first_nonzero_g_index)

void	apply (std::vector< Complex > &residual_g) const override

std::string	name () const override

const std::vector< Real > &	weights () const
	The filter values, exposed for the local-TF inner preconditioner and for tests.

Public Member Functions inherited from q3::Preconditioner
virtual	~Preconditioner ()=default

virtual void	update (const std::vector< Real > &)

Detailed Description

Diagonal G²/(G²+q0²) residual filter.

Definition at line 26 of file kerker.hpp.

Constructor & Destructor Documentation

◆ KerkerPreconditioner()

q3::KerkerPreconditioner::KerkerPreconditioner	(	const std::vector< Real > &	g_squared,
		Real	q0_squared,
		int	first_nonzero_g_index
	)

inline

Parameters

g_squared	\|G\|² per G-vector, in bohr⁻².
q0_squared	screening wavevector squared, in bohr⁻².
first_nonzero_g_index	index of the first G ≠ 0 component; every component below it is left untouched.

Definition at line 34 of file kerker.hpp.

Member Function Documentation

◆ apply()

void q3::KerkerPreconditioner::apply ( std::vector< Complex > & residual_g ) const

inlineoverridevirtual

Apply the preconditioner to one G-space residual channel, in place.

Callers pass the TOTAL charge channel only: the magnetization channel has no Coulomb kernel to screen, and damping its long-wavelength components would freeze slow moment relaxation. The G = 0 component must be left untouched — it is fixed by charge conservation, and the mixing metric excludes it for the same reason.

Parameters

residual_g residual in reciprocal space; overwritten with the preconditioned residual.

Implements q3::Preconditioner.

Definition at line 50 of file kerker.hpp.

◆ name()

std::string q3::KerkerPreconditioner::name ( ) const

inlineoverridevirtual

Implements q3::Preconditioner.

Definition at line 46 of file kerker.hpp.

◆ weights()

const std::vector< Real > & q3::KerkerPreconditioner::weights ( ) const

inline

The filter values, exposed for the local-TF inner preconditioner and for tests.

Definition at line 60 of file kerker.hpp.

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

src/layer_4_computation/iterator/internal/mixing/preconditioner/kerker.hpp