interface for defining the action performed when processing a pair
Definition: ParticlePairsHandler.h:38
ParticlePairsHandler()
Constructor.
Definition: ParticlePairsHandler.h:41
virtual void finish()=0
things to be done after particle pairs are processed
virtual ~ParticlePairsHandler()
Destructor.
Definition: ParticlePairsHandler.h:44
virtual void init()=0
things to be done before particle pairs are processed
virtual double processPair(Molecule &particle1, Molecule &particle2, double distanceVector[3], PairType pairType, double dd, bool calculateLJ)=0
things to be done for each particle pair