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slight fmt logical
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esoteric-ephemera committed Nov 21, 2024
1 parent efbbe55 commit f3b24f4
Showing 1 changed file with 2 additions and 4 deletions.
6 changes: 2 additions & 4 deletions emmet-core/emmet/core/neb.py
Original file line number Diff line number Diff line change
Expand Up @@ -129,10 +129,8 @@ class NebTaskDoc(BaseModel, extra="allow"):
def set_barriers(self) -> Self:
"""Perform analysis on barrier if needed."""
if (
not self.forward_barrier
or not self.reverse_barrier
and self.energies is not None
):
not self.forward_barrier or not self.reverse_barrier
) and self.energies is not None:
self.barrier_analysis = neb_barrier_spline_fit(self.energies) # type: ignore[arg-type]
for k in ("forward", "reverse"):
setattr(self, f"{k}_barrier", self.barrier_analysis[f"{k}_barrier"])
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