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Try to have the ensemble saving the properties
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Modules/Cluster.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1510,7 +1510,7 @@ def compute_single_jobarray(jobs_id, calc):
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if not is_success:
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continue
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ensemble.all_properties[num] = copy.deepcopy(res)
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ensemble.all_properties[num].update(res)
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ensemble.energies[num] = res["energy"] / units["Ry"]
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ensemble.forces[num, :, :] = res["forces"] / units["Ry"]
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if get_stress:

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