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Which is the best coordinate system to perform the box cell minimization?
#5
opened Feb 3, 2022 by
mrshirts
Make RMSD calculations more robust to jumping crystals across periodic boundaries.
#3
opened Feb 3, 2022 by
mrshirts
Find the minimum side length for cells such that minimization doesn't fail sometimes.
#2
opened Feb 2, 2022 by
mrshirts
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