[Spglib-users] spglib v1.9.8 released
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From: Atsushi T. <atz...@gm...> - 2016-11-02 05:03:24
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Dear spglib users, Spglib v1.9.8 was released. Only small changes are in it. - CMakeLists.txt is wriiten at the primitive level. - Atoms that have about the same position but with different types can be separately handled. I still rember and want to implement the request by Keith Refson, Determine spacegroup given symmetry operations, that is more than two years ago. I draw a rough sketch of the algorithm and saw it is not trivial to implement. But this feature is interesting and I try to find time to work for it. Togo -- Atsushi Togo Elements Strategy Initiative for Structural Materials, Kyoto university E-mail: atz...@gm... |