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Allow the calculator to return None as a result
1 parent ca27e85 commit bac1afc

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Lines changed: 3 additions & 1 deletion

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Modules/Cluster.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -820,7 +820,9 @@ def read_results(self, calc, label):
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calc.read_results()
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#calc.structure.save_scf("thread_{}_justreaded_{}.scf".format(threading.get_native_id(), label))
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results = copy.deepcopy(calc.results)
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results["structure"] = calc.structure.copy() # Report also the structure to check consistency
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if results is not None:
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results["structure"] = calc.structure.copy() # Report also the structure to check consistency
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return results
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