Skip to content

Commit fb701be

Browse files
committed
Added a bugfix to initialize also the all_properties if they are an empty list
1 parent 358c330 commit fb701be

1 file changed

Lines changed: 6 additions & 0 deletions

File tree

Modules/Ensemble.py

Lines changed: 6 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -423,6 +423,12 @@ def init(self):
423423
And initializes the parameters to perform the fourier transform
424424
faster at each minimization steps
425425
"""
426+
if self.N != len(self.structures):
427+
self.N = self.structures
428+
429+
# Check if th all_properties is initialized
430+
if len(self.all_properties) == 0:
431+
self.all_properties = [None] * self.N
426432

427433
# Initialize the supercell
428434
super_struct, itau = self.dyn_0.structure.generate_supercell(self.supercell, get_itau=True)

0 commit comments

Comments
 (0)