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Warning about missing neighborhood atoms #69

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jan-janssen opened this issue Sep 8, 2023 · 0 comments
Open

Warning about missing neighborhood atoms #69

jan-janssen opened this issue Sep 8, 2023 · 0 comments
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@samwaseda

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@jan-janssen
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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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@jan-janssen @samwaseda