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null.hpp
Go to the documentation of this file.
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#pragma once
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/**
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* NullIsolatedSystemCorrectionCalculator — the "no correction" scheme.
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*
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* Null Object implementation of IsolatedSystemCorrectionCalculator: reports
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* an unapplied result with no terms. Selected by
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* create_isolated_system_correction_calculator("none") so the SCF flavor can
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* call the correction interface unconditionally instead of branching on the
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* scheme name.
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*/
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#include <string>
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#include "
layer_5_properties/isolated_system_correction/planewave/init.hpp
"
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namespace
q3
{
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class
NullIsolatedSystemCorrectionCalculator
:
public
IsolatedSystemCorrectionCalculator
{
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public
:
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[[nodiscard]]
IsolatedSystemCorrectionResult
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compute
(
const
NormConservingPlanewaveKohnShamSCFState
&
/*scf_state*/
)
const override
{
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return
{};
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}
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[[nodiscard]] std::string
name
()
const override
{
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return
"none"
;
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}
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};
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}
// namespace q3
q3::IsolatedSystemCorrectionCalculator
Definition
init.hpp:60
q3::NullIsolatedSystemCorrectionCalculator
Definition
null.hpp:19
q3::NullIsolatedSystemCorrectionCalculator::name
std::string name() const override
Scheme name as accepted by the input ("none", "makov-payne", ...).
Definition
null.hpp:26
q3::NullIsolatedSystemCorrectionCalculator::compute
IsolatedSystemCorrectionResult compute(const NormConservingPlanewaveKohnShamSCFState &) const override
Definition
null.hpp:22
init.hpp
q3
Definition
q3_core_api.hpp:33
q3::IsolatedSystemCorrectionResult
Definition
init.hpp:46
q3::NormConservingPlanewaveKohnShamSCFState
Definition
init.hpp:31
src
layer_5_properties
isolated_system_correction
planewave
null.hpp
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