Reduce space of optimisation #80
Description
I want to work to reduce the amount of space the monte carlo algorithm searches by removing degenerate configurations. I am not entirely sure if all of these will work or reduce the space too much.
- cell xlen >= ylen, by only allowing a single orientation
- Particle x,y <= 0.5, positions in the bottom left hand corner helps with symmetry. Might need to be 1/N where N is the number of wyckoff sites.
These choices will need to be well documented and explained