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Public Member Functions | List of all members
q3::QEPlanewaveKohnShamWavefunctionCheckpoint Class Reference

#include <qe.hpp>

+ Inheritance diagram for q3::QEPlanewaveKohnShamWavefunctionCheckpoint:

Public Member Functions

 PlanewaveKohnShamWavefunctionCheckpoint (const NormConservingPlanewaveKohnShamSCFState &scf_state)
 
void write_to_file (const std::string &path) const override
 Write binary data to a file or directory.
 
- Public Member Functions inherited from q3::PlanewaveKohnShamWavefunctionCheckpoint
 PlanewaveKohnShamWavefunctionCheckpoint (const NormConservingPlanewaveKohnShamSCFState &scf_state)
 
- Public Member Functions inherited from q3::KohnShamWavefunctionCheckpoint
 ~KohnShamWavefunctionCheckpoint () override=default
 
- Public Member Functions inherited from q3::WavefunctionCheckpoint
 ~WavefunctionCheckpoint () override=default
 
- Public Member Functions inherited from q3::BinarySerializable
virtual ~BinarySerializable ()=default
 

Additional Inherited Members

- Protected Attributes inherited from q3::PlanewaveKohnShamWavefunctionCheckpoint
const Crystal & crystal_structure_
 
const KPointsGrid & kpoint_grid_
 
const NormConservingPlanewaveKohnShamSCFState & scf_state_
 

Detailed Description

Definition at line 31 of file qe.hpp.

Member Function Documentation

◆ PlanewaveKohnShamWavefunctionCheckpoint()

q3::PlanewaveKohnShamWavefunctionCheckpoint::PlanewaveKohnShamWavefunctionCheckpoint ( const NormConservingPlanewaveKohnShamSCFState &  scf_state)
inlineexplicit

Definition at line 19 of file init.hpp.

◆ write_to_file()

void q3::QEPlanewaveKohnShamWavefunctionCheckpoint::write_to_file ( const std::string &  path) const
inlineoverridevirtual

Write binary data to a file or directory.

Implements q3::BinarySerializable.

Definition at line 35 of file qe.hpp.

References q3::PlanewaveKohnShamWavefunctionCheckpoint::crystal_structure_, q3::log::error(), q3::PlanewaveKohnShamSCFState::execution_policy, q3::log::info(), q3::PlanewaveKohnShamWavefunctionCheckpoint::kpoint_grid_, q3::PlanewaveKohnShamQuantumSystem::number_of_bands(), q3::KPointsGrid::number_of_kpoints(), q3::PlanewaveKohnShamSCFState::planewave_basis, q3::NormConservingPlanewaveKohnShamSCFState::quantum_system(), q3::Crystal::reciprocal_vectors_bohr(), q3::PlanewaveKohnShamWavefunctionCheckpoint::scf_state_, and q3::log::warn().

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