Re: [Spglib-users] test_get_symmetry_dataset & test_refine_cell failure

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

Hi,

Thanks for your report.
Could you tell which version do you use?

Togo

On Thu, Jul 30, 2020 at 1:06 AM fatemeh haddadi
<fat...@gm...> wrote:
>
> Dear all,
>
> I am new to python and spglib. I'm facing a problem and wonder if anyone can help.
> I just installed spglib and tested test_spglib.py at python/test/. Here is the output:
>
> test_find_primitive (__main__.TestSpglib) ... ok
> test_get_symmetry_dataset (__main__.TestSpglib) ... FAIL
> test_refine_cell (__main__.TestSpglib) ... FAIL
> test_standardize_cell_and_pointgroup (__main__.TestSpglib) ... ok
> test_standardize_cell_from_primitive (__main__.TestSpglib) ... ok
> test_standardize_cell_to_primitive (__main__.TestSpglib) ... ok
>
> ======================================================================
> FAIL: test_get_symmetry_dataset (__main__.TestSpglib)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
>   File "test_spglib.py", line 105, in test_get_symmetry_dataset
>     self.assertEqual(w, w_ref, msg=("%s" % fname))
> AssertionError: /home/fhaddadi/spglib/python/test/data/distorted/POSCAR-11
>
> ======================================================================
> FAIL: test_refine_cell (__main__.TestSpglib)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
>   File "test_spglib.py", line 184, in test_refine_cell
>     self.assertEqual(dataset_1['number'], spgnum, msg=("%s" % fname))
> AssertionError: /home/fhaddadi/spglib/python/test/data/distorted/POSCAR-11
>
> ----------------------------------------------------------------------
> Ran 6 tests in 16.439s
>
> FAILED (failures=2)
>
> There are two failures as you see.
> Can anyone tell me what the problem is?
> Thank you in advance.
>
>
>
> Fatemeh Haddadi
> Doctoral assistant
> Theory and Simulation of Materials
> École Polytechnique Fédérale de Lausanne
>
>
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-- 
Atsushi Togo