small fix

simulation_scripts.py

@@ -182,7 +182,7 @@ def run_md_simulation(
         atoms = load_check_ase_atoms(structure_file)
 
         # Check if the file is an example
-        example = hash_file(structure_file) in EXAMPLE_FILE_HASHES
+        example = hash_file(structure_file) in EXAMPLE_FILE_HASHES or check_catalysis_example(atoms)
 
         atoms.info["charge"] = total_charge
         atoms.info["spin"] = spin_multiplicity
@@ -337,7 +337,7 @@ def run_relaxation_simulation(
         atoms = load_check_ase_atoms(structure_file)
 
         # Check if the file is an example
-        example = hash_file(structure_file) in EXAMPLE_FILE_HASHES
+        example = hash_file(structure_file) in EXAMPLE_FILE_HASHES or check_catalysis_example(atoms)
 
         # Center things for consistency in visualization
         atoms.positions -= atoms.get_center_of_mass()