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Fix initialisation of B and U matrices for crystal model. #4

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merged 3 commits into from
Feb 27, 2025

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@jbeilstenedmands jbeilstenedmands commented Feb 27, 2025

Also correctly update the matrices after niggli reduction.

Adds a thorough test for the crystal class.

@jbeilstenedmands jbeilstenedmands changed the title Fix initialisation of B and U matrices for crystal class and update them after niggli reduction. Fix initialisation of B and U matrices for crystal model. Feb 27, 2025
@jbeilstenedmands jbeilstenedmands merged commit 2d152bb into main Feb 27, 2025
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@jbeilstenedmands jbeilstenedmands deleted the fix_crystal_U_B branch February 27, 2025 15:44
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