Wrong neighbors if we set 2nd connections
tpyang opened this issue · 0 comments
tpyang commented
Describe the bug
See below, site 5 is found for site 3 as nearest neighbor, but site 3 is not found for site 5 as nearest neighbor,
To Reproduce
Steps to reproduce the behavior:
import lattpy as lp
import matplotlib.pyplot as plt
latt = lp.Lattice.hexagonal()
latt.add_atom()
latt.add_connections(2)
latt.build((3-0.1, 3-0.1, ), primitive=True)
latt.set_periodic([1, ], primitive=True)
latt.plot(show_indices=True)
plt.show()
print(latt.neighbors(3,distidx=0))
print(latt.neighbors(5,distidx=0))
The resulting error is:
[1 0 4 6 5 8]
[7 4 2 8 0]
Expected behavior
[1 0 4 6 5 8]
[7 4 2 8 0 3]
Environment
- lattpy version: 0.7.7
- OS and Python version: MacOs, python3.8
Additional context
Add any other context about the problem here.