q3::MeanFieldBandSource Class Reference

#include <init.hpp>

Inheritance diagram for q3::MeanFieldBandSource:

Public Member Functions
virtual	~MeanFieldBandSource ()=default
virtual const Complex *	coefficients (int kpoint_state_index, int band_index) const =0

Detailed Description

Per-band plane-wave coefficients, fetched on demand.

coefficients() returns a pointer to plane_waves_per_kpoint[kpoint_index] contiguous values, valid until the next call for a different k-point (the file-backed implementation caches one k-point). Callers write them out immediately, which is all any exporter does.

Definition at line 58 of file init.hpp.

Constructor & Destructor Documentation

~MeanFieldBandSource()

virtual q3::MeanFieldBandSource::~MeanFieldBandSource ( )

virtualdefault

Member Function Documentation

coefficients()

virtual const Complex * q3::MeanFieldBandSource::coefficients ( int  kpoint_state_index, int  band_index  ) const

pure virtual

kpoint_state_index is the (k-point, spin) state index, matching the eigenvalue/occupation row convention below – not the physical k-point index. They coincide only for a spin-unpolarized run.

Implemented in q3::FileMeanFieldBandSource, and q3::ScfStateMeanFieldBandSource.

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

• src/io/mean_field_record/init.hpp