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Fixed an error in the get_free_energy_hessian
1 parent 579ab81 commit 3ea713a

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Lines changed: 2 additions & 2 deletions

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Modules/Ensemble.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -2958,8 +2958,8 @@ def get_free_energy_hessian(self, include_v4 = False, get_full_hessian = True, v
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qe_sym = CC.symmetries.QE_Symmetry(super_structure)
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if timer:
2961-
qe_sym = timer.execute_timed_function(qe_sym.SetupFromSPGLIB)
2962-
qe_sym = timer.execute_timed_function(qe_sym.ApplySymmetryToTensor3, d3)
2961+
timer.execute_timed_function(qe_sym.SetupFromSPGLIB)
2962+
timer.execute_timed_function(qe_sym.ApplySymmetryToTensor3, d3)
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else:
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qe_sym.SetupFromSPGLIB()
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qe_sym.ApplySymmetryToTensor3(d3)

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