SlabAdsorptionSites detection for fcc110 terrace keyword error
My code uses the SlabAdsorptionSites for site detection. I am working with Pt fcc110, but running into the following errors. I tried to ignore the 2fold sites but had the same error with 3fold sites too.
File "main.py", line 208, in analyze_slab
cas = SlabAdsorptionSites(full_slab, self.surface_type,allow_6fold=False,composition_effect=False,
File "site-packages/acat/adsorption_sites.py", line 1395, in init
self.populate_expanded_site_list()
File "...acat/adsorption_sites.py", line 2520, in populate_expanded_site_list
nsas = SlabAdsorptionSites(atoms, surface=new_surface,
File "...site-packages/acat/adsorption_sites.py", line 1398, in init
self.postprocessing()
File ".../site-packages/acat/adsorption_sites.py", line 2461, in postprocessing
self.get_labels()
File ".../site-packages/acat/adsorption_sites.py", line 2790, in get_labels
stlab = self.label_dict['|'.join(signature)]
KeyError: '2fold|terrace'