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#define NONBONDED_GB_HPP |
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#include "nonbonded/NonBondedInteraction.hpp" |
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#include "types/DirectionalAtomType.hpp" |
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#include "UseTheForce/ForceField.hpp" |
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#include "math/SquareMatrix3.hpp" |
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private: |
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void initialize(); |
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GayBerneParam getGayBerneParam(AtomType* atomType); |
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RealType getD(AtomType* atomType); |
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RealType getL(AtomType* atomType); |
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RealType getEpsX(AtomType* atomType); |
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RealType getEpsS(AtomType* atomType); |
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RealType getEpsE(AtomType* atomType); |
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RealType getDw(AtomType* atomType); |
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LJParam getLJParam(AtomType* atomType); |
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RealType getLJSigma(AtomType* atomType); |
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RealType getLJEpsilon(AtomType* atomType); |
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bool initialized_; |
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string name_; |
