On a related note, I also have some initial code for handling periodic boundary conditions (e.g., optimizing in a unit cell). That doesn’t include optimizing the lattice vectors yet, but it’s on the long-term roadmap.
On a related note, I also have some initial code for handling periodic boundary conditions (e.g., optimizing in a unit cell). That doesn’t include optimizing the lattice vectors yet, but it’s on the long-term roadmap.