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#include "nonbonded/Morse.hpp" |
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#include "nonbonded/Electrostatic.hpp" |
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#include "nonbonded/MAW.hpp" |
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#include "nonbonded/RepulsivePower.hpp" |
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#include "nonbonded/SwitchingFunction.hpp" |
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using namespace std; |
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void doPair(InteractionData idat); |
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void doSkipCorrection(InteractionData idat); |
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void doSelfCorrection(SelfData sdat); |
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void setCutoffRadius(RealType rCut); |
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void setSwitchingRadius(RealType rSwitch); |
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RealType getSuggestedCutoffRadius(int *atid1); |
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RealType getSuggestedCutoffRadius(AtomType *atype); |
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SC* sc_; |
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Morse* morse_; |
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Electrostatic* electrostatic_; |
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RepulsivePower* repulsivePower_; |
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MAW* maw_; |
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map<int, AtomType*> typeMap_; |