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Modules/Cluster.py

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@@ -994,6 +994,7 @@ def check_job_finished(self, job_id, verbose = True):
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status, output = self.ExecuteCMD("squeue -u $USER", False, return_output = True, on_cluster = True, )
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lines = output.split("\n")
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if len(lines):
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for l in lines:
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data = l.strip().split()

Modules/Ensemble.py

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@@ -1726,6 +1726,8 @@ def get_free_energy_interpolating(self, target_supercell, support_dyn_coarse = N
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else:
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new_dyn = self.current_dyn.InterpolateMesh(target_supercell)
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print("dyn after interpolation:", new_dyn.GetSupercell())
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# Get the new harmonic free energy
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harm_fe = new_dyn.GetHarmonicFreeEnergy(self.current_T,

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