q3::BerkeleyGWExchangeCorrelationPotentialFile Class Reference

Writes VXC from a mean-field record; see the file comment. More...

#include <exchange_correlation_potential.hpp>

Public Member Functions
	BerkeleyGWExchangeCorrelationPotentialFile (const MeanFieldRecord &&)=delete
	See BerkeleyGWChargeDensityFile: this holds a reference.
	BerkeleyGWExchangeCorrelationPotentialFile (const MeanFieldRecord &record)
void	write_to_file (const std::string &file_path) const
	Writes the file, or throws – before creating it – when the record cannot supply it.

Detailed Description

Writes VXC from a mean-field record; see the file comment.

Definition at line 31 of file exchange_correlation_potential.hpp.

Constructor & Destructor Documentation

BerkeleyGWExchangeCorrelationPotentialFile() [1/2]

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

inlineexplicit

Definition at line 33 of file exchange_correlation_potential.hpp.

BerkeleyGWExchangeCorrelationPotentialFile() [2/2]

q3::BerkeleyGWExchangeCorrelationPotentialFile::BerkeleyGWExchangeCorrelationPotentialFile ( const MeanFieldRecord &&  )

explicitdelete

See BerkeleyGWChargeDensityFile: this holds a reference.

Member Function Documentation

write_to_file()

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

inline

Writes the file, or throws – before creating it – when the record cannot supply it.

Definition at line 39 of file exchange_correlation_potential.hpp.

References q3::MeanFieldRecord::exchange_correlation_potential_g, q3::log::info(), q3::MeanFieldRecord::number_of_spin_components, and q3::BerkeleyGWFieldFile::write().

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

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

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