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#include "nonbonded/NonBondedInteraction.hpp" |
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#include "UseTheForce/ForceField.hpp" |
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#include "math/CubicSpline.hpp" |
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+ |
#include "types/SuttonChenAdapter.hpp" |
50 |
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51 |
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namespace OpenMD { |
52 |
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86 |
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private: |
88 |
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void initialize(); |
88 |
– |
SCParam getSCParam(AtomType* atomType); |
89 |
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RealType getC(AtomType* atomType); |
90 |
– |
RealType getM(AtomType* atomType); |
91 |
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RealType getN(AtomType* atomType); |
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RealType getAlpha(AtomType* atomType); |
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RealType getEpsilon(AtomType* atomType); |
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RealType getAlpha(AtomType* atomType1, AtomType* atomType2); |
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RealType getEpsilon(AtomType* atomType1, AtomType* atomType2); |
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RealType getM(AtomType* atomType1, AtomType* atomType2); |