eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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PotentialOwner.h
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// SPDX-License-Identifier: BSD-3-Clause
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#pragma once
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#include <limits>
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namespace
eonc::potential_owner
{
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// Ring beads use their nonnegative index. Auxiliary geometry and derivative
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// stencils each reuse one scratch slot, bounding retained electronic states.
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inline
constexpr
long
auxiliary
= std::numeric_limits<long>::max() - 1;
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inline
constexpr
long
derivative
= std::numeric_limits<long>::max();
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inline
constexpr
long
reactant
= std::numeric_limits<long>::max() - 2;
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inline
constexpr
long
saddle
= std::numeric_limits<long>::max() - 3;
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}
// namespace eonc::potential_owner
eonc::potential_owner
Definition
PotentialOwner.h:6
eonc::potential_owner::saddle
constexpr long saddle
Definition
PotentialOwner.h:12
eonc::potential_owner::reactant
constexpr long reactant
Definition
PotentialOwner.h:11
eonc::potential_owner::auxiliary
constexpr long auxiliary
Definition
PotentialOwner.h:9
eonc::potential_owner::derivative
constexpr long derivative
Definition
PotentialOwner.h:10
include
eon
PotentialOwner.h
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