Documentation

SimpleCollection: ----------------- Purpose: holds the list of particle (by inheriting from Holder) as well as all the data needed to initialize the collection. The way in which this data is used to do the initialization is NOT and should not be specified here (see SimpleInitializator). Variables: initial_temp: The temperature used to set the scale of the velocity distribution at startup. fraction_of_b: fraction of atoms of type "b" (the rest is "a"). mass_ratio: mass of particle "a" / mass of particle "b". density: number of particle per unit volume. sigma_b: Interaction scale ratio ("sigma_a" is one) initUcell: Vector of ints that specifies the number of "unit cells" along the x,y (and z in 3D) axis. Together with density and the structure specified by the Structure class, it fixes the total number of particle as well as the rectangular shape of the collection. Important member functions: RealVector distAtoB(P*,P*) : This function must return the shortest vector that links two particles. If the particles are point objects as in SimpleParticle, then this vector is just the one linking the two centers of mass. For a more complicated "molecule" the vector will depend on the relative orientation, etc.. Needed by: Sample<...>::BuildNeighbors() RealVector getCM(int i) : given a particle number, returns the center of mass. Needed by: Sample<...>::BuildNeighbors() to partition the collection into boxes.

This class has no child classes.