Coverage for /builds/kinetik161/ase/ase/cluster/compounds.py: 100.00%

1import numpy as np 

2 

3from ase.cluster.cubic import SimpleCubicFactory 

4 

5 

6# The L1_2 structure is "based on FCC", but is really simple cubic 

7# with a basis. 

8class AuCu3Factory(SimpleCubicFactory): 

9 "A factory for creating AuCu3 (L1_2) lattices." 

10 

11 atomic_basis = np.array([[0., 0., 0.], 

12 [0., .5, .5], 

13 [.5, 0., .5], 

14 [.5, .5, 0.]]) 

15 

16 element_basis = [0, 1, 1, 1] 

17 

18 

19AuCu3 = L1_2 = AuCu3Factory()