[Spglib-users] spglib 1.9.5

[Atsushi T. <atz...@gm...>]

Dear spglib users,

Spglib-1.9.5 has been released. The source distribution is found at
https://sourceforge.net/projects/spglib/files/spglib/spglib-1.9/
Pypi and conda packages of this version are also prepared by Paweł T. Jochym.

Overlapping of atoms having the same type is checked from this
version. If atoms that are overlapping are found, the symmetry search
will fail. When a symmetry search failed, some message is left
internally and those messages are accessed through the following APIs:
For C-spglib,
http://atztogo.github.io/spglib/api.html#spg-get-error-code-and-spg-get-error-message
and for python-spglib
http://atztogo.github.io/spglib/python-spglib.html#get-error-message

Togo

-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...