Quantum 3xplorer (Q3)
An AI-native quantum simulation engine
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potential_local.hpp
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#pragma once
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/**
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* Local potential from a pseudopotential.
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*
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* The local (l-independent) part of the pseudopotential V_loc(r),
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* defined on the radial grid.
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*/
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#include <vector>
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#include "
layer_0_core/types/init.hpp
"
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namespace
q3
{
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/// Local potential V_loc(r) from a pseudopotential (Ry).
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struct
PotentialLocal
{
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std::vector<Real>
radial_values
;
// V_loc(r) on radial grid
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};
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}
// namespace q3
init.hpp
q3
Definition
q3_core_api.hpp:33
q3::PotentialLocal
Local potential V_loc(r) from a pseudopotential (Ry).
Definition
potential_local.hpp:17
q3::PotentialLocal::radial_values
std::vector< Real > radial_values
Definition
potential_local.hpp:18
src
layer_3_representation
pseudopotential
internal
potential_local.hpp
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