How to customize the lattice types?

[Peng-HuDu]

Hi, besides the listed lattice types, how can users customize a new lattice type? Thanks a lot.

[RyotaroOKabe]

Thanks for your suggestion. We will work on the updates so that users can customize the lattice types:
Essentially, we need the following information:

• The shape of the unit cell (e.g., square, hexagonal)
• Fractional coordinates
• The number of atoms per unit cell (for constrained and unconstrained atoms)

[RyotaroOKabe]

@PenghuDu
Please check the current version of the repository, to which I added the custom structural constraint.

[Peng-HuDu]

Thanks a lot. I would like to have a try.