Abstract base class for all SCF residual preconditioners.
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#include <init.hpp>
Abstract base class for all SCF residual preconditioners.
Definition at line 26 of file init.hpp.
◆ ~Preconditioner()
| virtual q3::Preconditioner::~Preconditioner |
( |
| ) |
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virtualdefault |
◆ apply()
| virtual void q3::Preconditioner::apply |
( |
std::vector< Complex > & |
residual_g | ) |
const |
|
pure virtual |
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
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| residual_g | residual in reciprocal space; overwritten with the preconditioned residual. |
Implemented in q3::NoPreconditioner, q3::KerkerPreconditioner, and q3::LocalThomasFermiPreconditioner.
◆ name()
| virtual std::string q3::Preconditioner::name |
( |
| ) |
const |
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pure virtual |
◆ update()
| virtual void q3::Preconditioner::update |
( |
const std::vector< Real > & |
| ) |
|
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inlinevirtual |
Supply the current real-space input density, summed over spin channels, before the next apply().
Density-independent preconditioners (identity, Kerker) ignore it. One built from the local density recomputes its screening from it, which is why this is a separate call: the mixer knows when the density is current, and apply() may run more than once per SCF step.
Reimplemented in q3::LocalThomasFermiPreconditioner.
Definition at line 55 of file init.hpp.
The documentation for this class was generated from the following file:
- src/layer_4_computation/iterator/internal/mixing/preconditioner/init.hpp
Inheritance diagram for q3::Preconditioner:
1.9.8 
