Flexible Domains
In a recent discussion, @pbittih brought up simulations in periodic domains with changing domain size (I think it was related to the enzyme models?)
The easiest (and very hacky) implementation strategy we came up with was to just replace sim.domain
in every timestep.
However, currently, the box grid would not work with this setup, since the box size is fixed. =
This could be easily circumvented by a) not using fixed precomuputed box sizes and b) initialising the box grid with the amount of boxes necessariy to cover the domain at its smallest possible extent.
However, before we actually start to modify a core InPartS component for a hack like this, we should probably think about whether there'd be a better way to implement this.
Edited by Lukas Hupe