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1 parent efbbe55 commit f3b24f4Copy full SHA for f3b24f4
emmet-core/emmet/core/neb.py
@@ -129,10 +129,8 @@ class NebTaskDoc(BaseModel, extra="allow"):
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def set_barriers(self) -> Self:
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"""Perform analysis on barrier if needed."""
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if (
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- not self.forward_barrier
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- or not self.reverse_barrier
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- and self.energies is not None
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- ):
+ not self.forward_barrier or not self.reverse_barrier
+ ) and self.energies is not None:
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self.barrier_analysis = neb_barrier_spline_fit(self.energies) # type: ignore[arg-type]
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for k in ("forward", "reverse"):
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setattr(self, f"{k}_barrier", self.barrier_analysis[f"{k}_barrier"])
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