Refactor get_BZ and implement BZ class#106
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t-reents merged 1 commit intomaterialscloud-org:mainfrom Jan 14, 2025
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The previous `get_BZ` function was refactored and a class was added to represent a BZ. The faces, triangles, hull and delaunaycan be accessed as properties. This is to avoid that the values are changed by the users. Moreover, a new method was added to check if a point is within the BZ.
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This PR addresses #104. The
get_BZmethod is deprecated and a newBZclass is introduced to represent a Brillouin zone.The data that was returned in the previous version can be accessed via properties, as well as the delaunay and the hull. This is to ensure that the user doesn't manipulate the
BZrepresentation, so that the reciprocal vectors of aBZinstance are always consistent with the other properties.