AssertionError in `_check_cluster_list_consistency`
Traceback:
Traceback (most recent call last):
File "/home/martin/src/mair/scripts/cluster_fail_mwe.py", line 9, in <module>
supercell_factor=4
File "/home/martin/src/clease/clease/settings_bulk.py", line 92, in __init__
ignore_background_atoms)
File "/home/martin/src/clease/clease/settings.py", line 97, in __init__
self._check_cluster_list_consistency()
File "/home/martin/src/clease/clease/settings.py", line 627, in _check_cluster_list_consistency
cluster_list.sort()
File "/home/martin/src/clease/clease/cluster_list.py", line 106, in sort
self.clusters.sort()
File "/home/martin/src/clease/clease/cluster.py", line 26, in __lt__
assert self.name >= other.name
AssertionError
with the following MWE:
import clease
bulk = clease.CEBulk(
crystalstructure='fcc',
a=2.8,
concentration=clease.Concentration([['Mg', 'Zn', 'Ca']]),
supercell_factor=4
)
Same result if supercell_factor
is not present - just takes longer.