[Spglib-users] Spglib v1.11.2 released (bug fix)
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From: Atsushi T. <atz...@gm...> - 2018-12-07 09:12:50
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Dear spglib users, This is the release for a bug fix. Origin shift was still not correctly computed. This bug affected to 'origin_shift' and 'std_positions', 'wyckoffs' in spglib dataset and the functions 'spg_standardize_cell', 'spg_find_primitive', and 'spg_refine_cell'. This bug doesn't exist in v1.10.x or earlier. Togo -- Atsushi Togo Elements Strategy Initiative for Structural Materials, Kyoto university E-mail: atz...@gm... |