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Update structuretoolkit/analyse/spatial.py
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Co-authored-by: Marvin Poul <[email protected]>
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samwaseda and pmrv authored Aug 8, 2023
1 parent 743323b commit 55425c7
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2 changes: 1 addition & 1 deletion structuretoolkit/analyse/spatial.py
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Expand Up @@ -130,7 +130,7 @@ class Interstitials:
given by `min_distance`
2. Shift interstitial candidates to the nearest symmetric points with respect to the
neighboring atom sites/vertices.
3. Cluster interstitial candidates to avoid point overlapping.
3. Cluster interstitial candidate positions to avoid point overlapping.
4. Cluster interstitial candidates by their Steinhardt parameters (cf. `l_values` for
the values of the spherical harmonics) and the variance of the distances and
take the group with the smallest average distance variance
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