Alternative algorithms for SQS cell generation
Description
In !293 (merged) (specifically, here), it was argued that the algorithm used for generating SQS cells is not optimal and can be significantly improved. The objective of this issue is to explore strategies to this end.
The initial task is to clarify these strategies and document them in the issue description. Subsequently the issue description should be completed (including a demo section) and scheduled.
From a structure generation point of view it is also desirable to be able to generate a structure with a target cluster vector without having to specify the concentration. This could be easily implemented by just adopting a SGC ensemble with zero chemical potentials. This would need a SGC annealing ensemble to work well. #379 (closed)
Edited by Paul Erhart