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Merge pull request #2100 from tom-wood/master
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Small clarification to get_conventional_standard_structure docstring in symmetry/analyzer.py
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mkhorton committed Mar 22, 2021
2 parents 2e5a4bb + 8aae967 commit eb4d034
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4 changes: 3 additions & 1 deletion pymatgen/symmetry/analyzer.py
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Expand Up @@ -464,7 +464,9 @@ def get_conventional_standard_structure(self, international_monoclinic=True):
Challenges and tools. Computational Materials Science,
49(2), 299-312. doi:10.1016/j.commatsci.2010.05.010
They basically enforce as much as possible
norm(a1)<norm(a2)<norm(a3)
norm(a1)<norm(a2)<norm(a3). NB This is not necessarily the same as the
standard settings within the International Tables of Crystallography,
for which get_refined_structure should be used instead.
Returns:
The structure in a conventional standardized cell
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