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Add post-processing option for surface site classification

Open Alexsp32 opened this issue 2 weeks ago • 0 comments
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This PR adds an Analysis submodule HighSymmetrySites, which can be used to relate positions of adsorbates within a Periodic Cell to high-symmetry sites on the cell.

ToDo:

  • [ ] Document trajectory analysis.
  • [ ] Ensure API docs automatically generate properly
  • [ ] Unit tests functioning

Alexsp32 avatar Nov 07 '25 15:11 Alexsp32