q3::BerkeleyGWKleinmanBylanderProjectorFile Class Reference

Writes VKB from a mean-field record that carries projectors; see the file comment. More...

#include <kleinman_bylander_projectors.hpp>

Public Member Functions
	BerkeleyGWKleinmanBylanderProjectorFile (const MeanFieldRecord &&)=delete
	See BerkeleyGWChargeDensityFile: this holds a reference.
	BerkeleyGWKleinmanBylanderProjectorFile (const MeanFieldRecord &record)
void	write_to_file (const std::string &file_path) const
	Writes the file, or throws – before creating it – when the record carries no projectors.

Detailed Description

Writes VKB from a mean-field record that carries projectors; see the file comment.

Definition at line 63 of file kleinman_bylander_projectors.hpp.

Constructor & Destructor Documentation

BerkeleyGWKleinmanBylanderProjectorFile() [1/2]

q3::BerkeleyGWKleinmanBylanderProjectorFile::BerkeleyGWKleinmanBylanderProjectorFile ( const MeanFieldRecord &  record )

inlineexplicit

Definition at line 65 of file kleinman_bylander_projectors.hpp.

BerkeleyGWKleinmanBylanderProjectorFile() [2/2]

q3::BerkeleyGWKleinmanBylanderProjectorFile::BerkeleyGWKleinmanBylanderProjectorFile ( const MeanFieldRecord &&  )

explicitdelete

See BerkeleyGWChargeDensityFile: this holds a reference.

Member Function Documentation

write_to_file()

void q3::BerkeleyGWKleinmanBylanderProjectorFile::write_to_file ( const std::string &  file_path ) const

inline

Writes the file, or throws – before creating it – when the record carries no projectors.

Definition at line 71 of file kleinman_bylander_projectors.hpp.

References q3::log::info(), q3::BerkeleyGWCommonHeader::write(), q3::BerkeleyGWRecordWriter::write_charge_density_gvectors(), q3::BerkeleyGWRecordWriter::write_kpoint_coordinates(), q3::BerkeleyGWRecordWriter::write_normalized_kpoint_weights(), and q3::BerkeleyGWRecordWriter::write_plane_wave_counts().

Referenced by q3::BerkeleyGWExporter::export_to_directory().

---

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

• src/io/mean_field_export/berkeleygw/kleinman_bylander_projectors.hpp