pyiron / pyiron/structuretoolkit

Warning about missing neighborhood atoms

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@samwaseda is already working on this.

Since Sep 8, 2023.

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Python
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Description

During the tests we get the error message:

/home/runner/work/structuretoolkit/structuretoolkit/structuretoolkit/analyse/neighbors.py:350: UserWarning: Taking a larger search area after initialization has the risk of missing neighborhood atoms
  warnings.warn(

It would be great to adjust the tests to not run into this warning.

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