Edge count fix #323
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Edge count fix #323
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laserkelvin
added
bug
melo-gonzo
approved these changes
Dec 2, 2024
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This PR is related to #321, and makes the edges being returned exactly equivalent to those counted by
ovito.The changes made affect the
Edgedataclass that was being used with eitherpymatgenandasebackends for periodic boundary calculations; the__eq__and__hash__methods now compareimageindices without considering phase. The result is that edges are kept insets as undirected and equivalent by mirror symmetry.