#include <from_scf_state.hpp>
Inheritance diagram for q3::ScfStateMeanFieldBandSource:
Public Member Functions | |
| ScfStateMeanFieldBandSource (const NormConservingPlanewaveKohnShamSCFState &scf_state) | |
| const Complex * | coefficients (int kpoint_state_index, int band_index) const override |
| Public Member Functions inherited from q3::MeanFieldBandSource | |
| virtual | ~MeanFieldBandSource ()=default |
Detailed Description
Band source backed by a live quantum system.
Holds a reference, not a copy: the record is built and consumed inside the flavor's own scope, where the SCF state outlives it. A file-backed source is used when that is not true.
Definition at line 37 of file from_scf_state.hpp.
Constructor & Destructor Documentation
◆ ScfStateMeanFieldBandSource()
|
inlineexplicit |
Definition at line 39 of file from_scf_state.hpp.
Member Function Documentation
◆ coefficients()
|
inlineoverridevirtual |
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.
Implements q3::MeanFieldBandSource.
Definition at line 42 of file from_scf_state.hpp.
References q3::NormConservingPlanewaveKohnShamSCFState::quantum_system(), and q3::PlanewaveKohnShamQuantumSystem::wavefunction_band_data().
The documentation for this class was generated from the following file:
- src/io/mean_field_record/from_scf_state.hpp
