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Error writing single atom poscar #273

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knc6 opened this issue Jan 29, 2023 · 0 comments
Open

Error writing single atom poscar #273

knc6 opened this issue Jan 29, 2023 · 0 comments

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@knc6
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knc6 commented Jan 29, 2023

Possible solution, add here: https://github.com/usnistgov/jarvis/blob/master/jarvis/core/atoms.py#L76

        if len(self.coords.shape)==1:
              self.coords = self.coords[None,:]
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