Ground state generation fails if for certain concentrations
Traceback (most recent call last):
File "/home/gudrun/davidkl/Documents/clease/clease/gui/newStructPage.py", line 105, in generate
num_steps_per_temp=self.num_steps, eci=self.eci)
File "/home/gudrun/davidkl/Documents/clease/clease/newStruct.py", line 215, in generate_gs_structure_multiple_templates
eci=eci
File "/home/gudrun/davidkl/Documents/clease/clease/newStruct.py", line 271, in _generate_one_gs_structure_multiple_templates
gs_struct, _ = es.generate()
File "/home/gudrun/davidkl/Documents/clease/clease/structure_generator.py", line 461, in generate
mc.run(steps=self.num_steps_per_temp)
File "/home/gudrun/davidkl/Documents/clease/clease/montecarlo/montecarlo.py", line 346, in run
self._check_symbols()
File "/home/gudrun/davidkl/Documents/clease/clease/montecarlo/montecarlo.py", line 244, in _check_symbols
"There is only one element in the given atoms object!")
clease.montecarlo.montecarlo.TooFewElementsError: There is only one element in the given atoms object
This happens produces an initial concentration with two or less elements in a basis