q3::MixerEnvironment Struct Reference

#include <init.hpp>

Public Attributes
std::vector< Real >	charge_metric_weights
int	first_nonzero_g_index = 0
std::function< void(std::vector< Real > &)>	global_reduce
bool	is_gamma_only = false
Real	magnetization_metric_weight = 0.0
int	number_of_smooth_g_vectors = 0
std::shared_ptr< Preconditioner >	preconditioner
std::function< void(const std::vector< Complex > &, std::vector< Real > &)>	to_real_space
std::function< void(const std::vector< Real > &, std::vector< Complex > &)>	to_reciprocal_space

Detailed Description

Everything a mixer might need from the surrounding representation.

Real-space mixers ignore the reciprocal-space members; reciprocal-space mixers use the transforms and metric weights. Passing a single struct lets the iterator initialize any mixer without knowing its space.

Definition at line 28 of file init.hpp.

Member Data Documentation

charge_metric_weights

std::vector<Real> q3::MixerEnvironment::charge_metric_weights

Definition at line 31 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

first_nonzero_g_index

int q3::MixerEnvironment::first_nonzero_g_index = 0

Definition at line 39 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

global_reduce

std::function<void(std::vector<Real>&)> q3::MixerEnvironment::global_reduce

Definition at line 42 of file init.hpp.

Referenced by q3::RealSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

is_gamma_only

bool q3::MixerEnvironment::is_gamma_only = false

Definition at line 40 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

magnetization_metric_weight

Real q3::MixerEnvironment::magnetization_metric_weight = 0.0

Definition at line 38 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

number_of_smooth_g_vectors

int q3::MixerEnvironment::number_of_smooth_g_vectors = 0

Definition at line 41 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

preconditioner

std::shared_ptr<Preconditioner> q3::MixerEnvironment::preconditioner

Residual preconditioner, applied to the total-charge channel only. Never null: "no preconditioning" is a NoPreconditioner, not an absent pointer, so mixers call it unconditionally.

Definition at line 37 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

to_real_space

std::function<void(const std::vector<Complex>&, std::vector<Real>&)> q3::MixerEnvironment::to_real_space

Definition at line 30 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

to_reciprocal_space

std::function<void(const std::vector<Real>&, std::vector<Complex>&)> q3::MixerEnvironment::to_reciprocal_space

Definition at line 29 of file init.hpp.

Referenced by q3::ReciprocalSpaceMixer::initialize(), and q3::PlanewaveKohnShamSCFIterator::initiate_mixer().

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

• src/layer_4_computation/iterator/internal/mixing/init.hpp