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clean up
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mjohnson541 committed Nov 21, 2024
1 parent 9c5a6af commit 8b10139
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2 changes: 0 additions & 2 deletions pynta/tasks.py
Original file line number Diff line number Diff line change
Expand Up @@ -1249,10 +1249,8 @@ def run_task(self, fw_spec):
break
else:
raise ValueError
assert config.atoms[1].site == "bridge"

partial_admol = admol_name_structure_dict[adname]
assert partial_admol.atoms[1].site == "bridge"
admol_path = admol_name_path_dict[adname]
partial_atoms = read(admol_path)
init_atoms = mol_to_atoms(config,slab,sites,metal,partial_atoms=partial_atoms,partial_admol=partial_admol)
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