Periodic boundary conditions misses some neighbors for non-square lattices
dylanljones opened this issue · 1 comments
dylanljones commented
Describe the bug
Setting periodic boundary conditions misses neighbors for some lattices.
To Reproduce
See, for example, the hexagonal lattice
import lattpy as lp
import matplotlib.pyplot as plt
latt = lp.Lattice.hexagonal()
latt.add_atom()
latt.add_connections()
latt.build((3, 3, ), primitive=True)
latt.set_periodic([0, ], primitive=True)
latt.plot()
plt.show()
The top (12) and bottom (3) sites are each missing one neighbor (site 1 and 14, respectively)
Environment
- lattpy version: 0.7.4
- OS and Python version: All
dylanljones commented
Periodic neighbors are actually correct