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#endif |
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#include "UseTheForce/fForceField.h" |
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< |
#include "UseTheForce/fortranWrapDefines.hpp" |
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> |
//#include "UseTheForce/fortranWrapDefines.hpp" |
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class bond_pair{ |
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public: |
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virtual double getAtomTypeMass(char* atomType) = 0; |
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89 |
< |
void setFortranForceLoop( doForceLoop_TD fsub ){ |
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< |
fortranForceLoop = fsub; |
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< |
} |
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89 |
> |
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protected: |
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void initFortran( int ljMixPolicy, int useReactionField ); |
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< |
doForceLoop_TD fortranForceLoop; |
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> |
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FILE *frcFile; |
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SimInfo* entry_plug; |