[Spglib-users] spglib version 1.6.1 released
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atztogo
From: Atsushi T. <atz...@gm...> - 2014-08-04 02:39:13
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Dear spglib users, I released spglib version 1.6.1. This is a maintenance release that includes collection of bug fixes. The below is the changelog. 2014-08-04 Atsushi Togo <atz...@gm...> * Version 1.6.1: * src/{refinement.*,primitive.*,spglib.c} Fix symmetry finding bug for supercell that has lower point group than the primitive cell. * src/spglib.* New functions of spg_get_spacegroup_type and spg_get_grid_point. The former offers difrect access to space group type database using hall symbol number. The later perfoms converting grid address to grid point index on the reciprocal mesh. * pyspglib update. Best regards, Togo -- Atsushi Togo http://atztogo.github.com/ atz...@gm... |