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Change behavior of sort_atomgroup

Henrik Stooss requested to merge adapt-sort-atomgroup into main

Fixes #88 (closed)

Changes made in this Pull Request:

  • sort_atomgroup returns the indexing that would sort the atomgroup, which can for example be applied to a copied array of positions

PR Checklist

  • Docs?
  • Issue raised/referenced?
Edited by Henrik Stooss

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