q3::GradientCorrectedExchangeCorrelationGradientStressCalculator Class Reference

#include <gradient_corrected.hpp>

Inheritance diagram for q3::GradientCorrectedExchangeCorrelationGradientStressCalculator:

Public Member Functions
	GradientCorrectedExchangeCorrelationGradientStressCalculator (const Crystal &crystal_structure, const PlanewaveBasis &planewave_basis, const NormConservingPlanewaveKohnShamSCFState &scf_state, const ExchangeCorrelationStressDensitySource &density_source, StressTensorContributions &result)
void	add_gradient_stress () override
Public Member Functions inherited from q3::ExchangeCorrelationGradientStressCalculator
virtual	~ExchangeCorrelationGradientStressCalculator ()=default

Detailed Description

Definition at line 33 of file gradient_corrected.hpp.

Constructor & Destructor Documentation

GradientCorrectedExchangeCorrelationGradientStressCalculator()

q3::GradientCorrectedExchangeCorrelationGradientStressCalculator::GradientCorrectedExchangeCorrelationGradientStressCalculator ( const Crystal &  crystal_structure, const PlanewaveBasis &  planewave_basis, const NormConservingPlanewaveKohnShamSCFState &  scf_state, const ExchangeCorrelationStressDensitySource &  density_source, StressTensorContributions &  result  )

inline

Definition at line 36 of file gradient_corrected.hpp.

Member Function Documentation

add_gradient_stress()

void q3::GradientCorrectedExchangeCorrelationGradientStressCalculator::add_gradient_stress ( )

inlineoverridevirtual

Implements q3::ExchangeCorrelationGradientStressCalculator.

Definition at line 48 of file gradient_corrected.hpp.

References q3::ExchangeCorrelationStressDensitySource::build_total_charge_density_g(), q3::PlanewaveKohnShamSCFState::exchange_correlation, and q3::PlanewaveKohnShamSCFState::number_of_spin_components().

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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/gradient_corrected.hpp