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tweak
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mjohnson541 committed Oct 15, 2024
1 parent f6d42a5 commit a82c0f5
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pynta/tasks.py
Original file line number Diff line number Diff line change
Expand Up @@ -1236,7 +1236,7 @@ def run_task(self, fw_spec):

configs_for_calculation,config_for_calculation_to_admol = get_configs_for_calculation(configs_of_concern_by_admol,computed_configs,tree,Ncalc_per_iter)

for k,v in config_for_calculation_to_admol:
for k,v in config_for_calculation_to_admol.items():
assert k.is_subgraph_isomorphic(v.to_group(),save_order=True)
os.makedirs(os.path.join(path,"Iterations",str(iter),"Samples"))

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