Add __getitem__ implementation for NeighList
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@ -70,6 +70,9 @@ class NeighList:
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iatom, numneigh, neighbors = self.lmp.get_neighlist_element_neighbors(self.idx, element)
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iatom, numneigh, neighbors = self.lmp.get_neighlist_element_neighbors(self.idx, element)
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return iatom, numneigh, neighbors
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return iatom, numneigh, neighbors
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def __getitem__(self, element):
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return self.get(element)
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def __iter__(self):
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def __iter__(self):
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inum = self.size
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inum = self.size
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