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Fixup calcs neb
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ElliottKasoar committed Feb 27, 2025
1 parent ff320ef commit 729c24c
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2 changes: 2 additions & 0 deletions janus_core/calculations/neb.py
Original file line number Diff line number Diff line change
Expand Up @@ -317,6 +317,8 @@ def __init__(
if not isinstance(self.struct, Sequence):
raise ValueError("`images` must include multiple structures.")
self.images = self.struct
self.final_struct = self.struct[-1]
self.final_struct_path = None

# Set default interpolation kwargs
if self.interpolator == "ase":
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