Table 1. Penalties as implemented by DAMMIN and DAMMIF by function and type.
Function | DAMMIN | DAMMIF | |||||
Peripheral penalty (gradually decreasing) | Keeps the particle beads close to the origin at high temperatures | Explicit | |||||
Disconnectivity penalty | Ensures that the model is interconnected | Explicit | Implicit | ||||
Looseness penalty | Ensures that the model is compact | Explicit | Explicit | ||||
Anisometry penalty (with symmetries only) | Specifies whether the model should be oblate or prolate | Explicit | Explicit | ||||
Centre/ penalty | Keeps the centre of mass of the model close to the origin | Explicit |