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Added a small bugfix to enforce symmetries in the supercells if requested from the namespace.
1 parent 8f3e009 commit d58e821

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Lines changed: 1 addition & 1 deletion

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Modules/SchaMinimizer.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -680,7 +680,7 @@ def setup_from_namelist(self, input_file):
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# Symmetrize the dynmat if requested
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if not self.neglect_symmetries:
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self.dyn.Symmetrize()
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self.dyn.Symmetrize(use_spglib = self.use_spglib)
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if not __SCHA_DATADIR__ in keys:
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self.ensemble = Ensemble.Ensemble(self.dyn, 0)

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