Vidar would like to have a system where Lennard-Jones parameters of a given element can change as a result of move.
As a quick implementation option could be to expose the init() method in an API of the MixerPairPotentialBase, possibly allowing recalculation only of affected pairs.
A better but more complex solution would be perhaps an observer pattern.
Vidar would like to have a system where Lennard-Jones parameters of a given element can change as a result of move.
As a quick implementation option could be to expose the
init()method in an API of theMixerPairPotentialBase, possibly allowing recalculation only of affected pairs.A better but more complex solution would be perhaps an observer pattern.