q3::ExchangeCorrelationStressDensitySource Class Reference

Provider of the (possibly NLCC-augmented) densities the gradient stress needs. More...

#include <init.hpp>

Inheritance diagram for q3::ExchangeCorrelationStressDensitySource:

Public Member Functions
virtual	~ExchangeCorrelationStressDensitySource ()=default
virtual std::vector< Complex >	build_spin_charge_density_g (int spin_index) const =0
	Per-spin charge density in G-space for the LSDA gradient stress.
virtual std::vector< Complex >	build_total_charge_density_g () const =0
	Total charge density in G-space (valence, plus core charge in subclasses).

Detailed Description

Provider of the (possibly NLCC-augmented) densities the gradient stress needs.

Definition at line 33 of file init.hpp.

Constructor & Destructor Documentation

~ExchangeCorrelationStressDensitySource()

virtual q3::ExchangeCorrelationStressDensitySource::~ExchangeCorrelationStressDensitySource ( )

virtualdefault

Member Function Documentation

build_spin_charge_density_g()

virtual std::vector< Complex > q3::ExchangeCorrelationStressDensitySource::build_spin_charge_density_g ( int  spin_index ) const

pure virtual

Per-spin charge density in G-space for the LSDA gradient stress.

Implemented in q3::ExchangeCorrelationStressTensorCalculator, and q3::PseudopotentialExchangeCorrelationStressTensorCalculator.

build_total_charge_density_g()

virtual std::vector< Complex > q3::ExchangeCorrelationStressDensitySource::build_total_charge_density_g ( ) const

pure virtual

Total charge density in G-space (valence, plus core charge in subclasses).

Implemented in q3::ExchangeCorrelationStressTensorCalculator, and q3::PseudopotentialExchangeCorrelationStressTensorCalculator.

Referenced by q3::GradientCorrectedExchangeCorrelationGradientStressCalculator::add_gradient_stress().

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

• src/layer_5_properties/stress_tensor/planewave/internal/exchange_correlation_gradient/init.hpp