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1 parent 12b2d8a commit 0278105Copy full SHA for 0278105
janus_core/calculations/descriptors.py
@@ -166,7 +166,11 @@ def __init__(
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):
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raise ValueError("Please attach a calculator to `struct`.")
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- self._check_calculator(self.struct.calc)
+ if isinstance(self.struct, Atoms):
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+ self._check_calculator(self.struct.calc)
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+ if isinstance(self.struct, Sequence):
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+ for image in self.struct:
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+ self._check_calculator(image.calc)
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# Set output file
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self.write_kwargs.setdefault("filename", None)
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