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pymatgen/io/vasp/outputs.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -619,7 +619,7 @@ def converged_ionic(self) -> bool:
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ibrion = self.parameters.get("IBRION", -1 if nsw in (-1, 0) else 0)
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if ibrion == 0:
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return nsw <= 1 or self.md_n_steps == nsw
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if ibrion in [1,2] and ediffg == 0:
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if ibrion in [1, 2] and ediffg == 0:
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return nsw <= 1 or nsw == len(self.ionic_steps)
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return nsw <= 1 or len(self.ionic_steps) < nsw

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