5#ifndef _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULEITERATOR_H_
6#define _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULEITERATOR_H_
8#include "coupling/interface/Molecule.h"
some iterator scheme for traversing the molecules within a linked cell.
Definition MoleculeIterator.h:24
virtual bool continueIteration() const =0
virtual ~MoleculeIterator()
Definition MoleculeIterator.h:33
MoleculeIterator(LinkedCell &cell)
Definition MoleculeIterator.h:30
virtual const coupling::interface::Molecule< dim > & getConst()=0
virtual coupling::interface::Molecule< dim > & get()=0
interface to access a single molecule in the MD simulation.
Definition Molecule.h:23
everything necessary for coupling operations, is defined in here
Definition AdditiveMomentumInsertion.h:15