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calphy/phase.py

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@@ -1217,6 +1217,7 @@ def integrate_reversible_scaling(self, scale_energy=True, return_values=False):
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return_values=return_values,
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)
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self.logger.info(f'Maximum energy dissipation along the temperature scaling part: {ediss} eV/atom')
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if np.abs(ediss) > 1E-4:
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self.logger.warning(f'Found max energy dissipation of {ediss} along the temperature scaling path. Please ensure there are no structural changes!')
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