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Added ? in is_scf_converged
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JosePizarro3 committed Apr 2, 2024
1 parent eaf5b84 commit d24ebed
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1 change: 1 addition & 0 deletions src/nomad_simulations/outputs.py
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Expand Up @@ -191,6 +191,7 @@ def check_is_scf_converged(
(bool): The flag indicating whether the output property is converged or not.
"""
if not is_scf_converged:
# ? It will be nice if some of this logger messages can be checked or be used when querying data
logger.info('The output property is not converged after the SCF process.')
return False
return True
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