q3::GaussianSmearing Class Reference

Gaussian smearing. More...

#include <gaussian.hpp>

Inheritance diagram for q3::GaussianSmearing:

Public Member Functions
	GaussianSmearing (Real smearing_width=0.0)
Real	entropy_weight (Real x) const override
	Compute the entropy contribution δ(x) weight.
std::string	name () const override
Real	occupation (Real x) const override
	Compute the occupation f(x) where x = (E - E_F) / σ.
Public Member Functions inherited from q3::SmearingScheme
	SmearingScheme (Real smearing_width=0.0)
virtual	~SmearingScheme ()=default
Real	smearing_width () const
	Smearing width σ (degauss) in Ry.
bool	uses_smearing () const
	Whether this scheme uses actual smearing (width > 0).

Additional Inherited Members
Protected Attributes inherited from q3::SmearingScheme
Real	smearing_width_

Detailed Description

Gaussian smearing.

Definition at line 17 of file gaussian.hpp.

Constructor & Destructor Documentation

GaussianSmearing()

q3::GaussianSmearing::GaussianSmearing ( Real  smearing_width = 0.0 )

inlineexplicit

Definition at line 19 of file gaussian.hpp.

Member Function Documentation

entropy_weight()

Real q3::GaussianSmearing::entropy_weight ( Real  x ) const

inlineoverridevirtual

Compute the entropy contribution δ(x) weight.

Implements q3::SmearingScheme.

Definition at line 25 of file gaussian.hpp.

References q3::constants::pi.

name()

std::string q3::GaussianSmearing::name ( ) const

inlineoverridevirtual

Implements q3::SmearingScheme.

Definition at line 30 of file gaussian.hpp.

occupation()

Real q3::GaussianSmearing::occupation ( Real  x ) const

inlineoverridevirtual

Compute the occupation f(x) where x = (E - E_F) / σ.

Implements q3::SmearingScheme.

Definition at line 21 of file gaussian.hpp.

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

• src/layer_4_computation/iterator/internal/smearing/gaussian.hpp