[Spglib-users] spglib v1.10.0 released
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From: Atsushi T. <atz...@gm...> - 2017-10-22 04:51:18
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Dear spglib users, Spglib v1.10.0 is released. - 'mapping_to_primitive' and 'std_mapping_to_primitive' in the spglib dataset are available. - 'spg_get_hall_number_from_symmetry' function ('get_hall_number_from_symmetry' method for python) is also available as an experimental feature. - ASE Atoms class-like input of crystal structure for python wrapper is deprecated. DeprecationWarning is issued when using it. See the detail at https://atztogo.github.io/spglib/python-spglib.html#ase-atoms-like-input-is-deprecated This feature will be usable for a while until people will be aware of it. Following the comment by Maja-Olivia Lenz, I wrote some document on it. The ChangeLog is found here, https://github.com/atztogo/spglib/blob/master/ChangeLog Togo -- Atsushi Togo Elements Strategy Initiative for Structural Materials, Kyoto university E-mail: atz...@gm... |