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

1# fmt: off 

2 

3import numpy as np 

4 

5from ase.cluster.cubic import SimpleCubicFactory 

6 

7 

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

9# with a basis. 

10class AuCu3Factory(SimpleCubicFactory): 

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

12 

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

14 [0., .5, .5], 

15 [.5, 0., .5], 

16 [.5, .5, 0.]]) 

17 

18 element_basis = [0, 1, 1, 1] 

19 

20 

21AuCu3 = L1_2 = AuCu3Factory()