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#define NONBONDED_EAM_HPP |
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#include "nonbonded/NonBondedInteraction.hpp" |
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< |
#include "types/AtomType.hpp" |
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> |
#include "types/EAMAdapter.hpp" |
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#include "UseTheForce/ForceField.hpp" |
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#include "math/Vector3.hpp" |
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#include "math/CubicSpline.hpp" |
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private: |
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void initialize(); |
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– |
EAMParam getEAMParam(AtomType* atomType); |
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– |
CubicSpline* getZ(AtomType* atomType); |
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– |
CubicSpline* getRho(AtomType* atomType); |
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CubicSpline* getF(AtomType* atomType); |
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RealType getRcut(AtomType* atomType); |
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CubicSpline* getPhi(AtomType* atomType1, AtomType* atomType2); |
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bool initialized_; |