Feature request: passing tags to runtime model
mhoffman opened this issue · comments
If there are many similar species on the surface, could it becomes hard to distinguish them. Therefore it would be useful if one could assign tags to the molecule representations that would also show in the runtime ASE representation.
Ok, so the Species constructor now accepts an additional tags='...' argument. At runtime the:
model.get_atoms()
object will feature an attribute called model.info, which as a list of string, containing the same tags the for atom belong to the respective admolecule.
Cheers,
Max.