Consider the following atoms object.
atoms_al = ase.build.fcc111('Al', size=(1,2,2), vacuum=16.0, orthogonal=True)
To set the periodic boundary conditions along the x-direction I use:
I am trying to understand what exactly changes, mathematically, in the atoms_al object once the periodic boundary conditions are applied? Will some attributes of the atoms_al object change once the pbc are applied?
If so, what can they be for example?
I have looked up the source code to find what atoms.pbc does to the atoms object but I did not have any luck. If you could please point me to where I can see the implementation, that would be very helpful.