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fix file operation
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mjohnson541 committed Jan 9, 2025
1 parent 5ebf05b commit ce6784d
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 @@ -1221,7 +1221,7 @@ def run_task(self, fw_spec):
with open(config_path,'r') as f:
configs_of_concern_by_admol[admol_name] = [(Molecule().from_adjacency_list(k[0],check_consistency=False),k[1],k[2],k[3]) for k in json.load(f)]
Ncoad_energy_path = os.path.join(path,"Iterations",str(iter),"Ncoad_energy_"+admol_name+".json")
with open(Ncoad_energy_path,'w') as f:
with open(Ncoad_energy_path,'r') as f:
Ncoad_energy_by_admol[admol_name] = json.load(f)

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