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init.hpp
Go to the documentation of this file.
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#pragma once
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#include "
layer_3_representation/effective_potential/planewave/init.hpp
"
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namespace
q3
{
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/**
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* NormConservingPlanewaveEffectivePotential — pseudopotential effective potential.
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*
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* Base class for effective potentials under pseudopotentials in planewave basis.
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* For norm-conserving, this is identical to PlanewaveEffectivePotential since the D-matrix is
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* static. For ultrasoft, it is overridden by UltrasoftPlanewaveEffectivePotential to
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* manage D_eff.
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*/
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class
NormConservingPlanewaveEffectivePotential
:
public
PlanewaveEffectivePotential
{
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public
:
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using
PlanewaveEffectivePotential::PlanewaveEffectivePotential
;
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virtual
~NormConservingPlanewaveEffectivePotential
()
override
=
default
;
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};
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}
// namespace q3
q3::NormConservingPlanewaveEffectivePotential
Definition
init.hpp:15
q3::NormConservingPlanewaveEffectivePotential::~NormConservingPlanewaveEffectivePotential
virtual ~NormConservingPlanewaveEffectivePotential() override=default
q3::PlanewaveEffectivePotential
Planewave effective potential — stores V(r) on FFT grid.
Definition
init.hpp:30
q3::PlanewaveEffectivePotential::PlanewaveEffectivePotential
PlanewaveEffectivePotential()=default
init.hpp
q3
Definition
q3_core_api.hpp:33
src
layer_3_representation
effective_potential
planewave
pseudopotential
init.hpp
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