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Fix an error of the Interpolate Mesh
1 parent fa7a9ab commit a37c427

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Lines changed: 6 additions & 2 deletions

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Modules/Ensemble.py

Lines changed: 6 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1779,9 +1779,13 @@ def get_free_energy_interpolating(self, target_supercell, support_dyn_coarse = N
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support_dyn_coarse,
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support_dyn_fine)
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else:
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new_dyn = self.current_dyn.InterpolateMesh(target_supercell, lo_to_splitting = True)
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new_dyn = self.current_dyn.Interpolate( self.current_dyn.GetSupercell(),
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target_supercell)
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#else:
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# new_dyn = self.current_dyn.InterpolateMesh(target_supercell, lo_to_splitting = True)
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print("dyn after interpolation:", new_dyn.GetSupercell())
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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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