Re: [Spglib-users] test_get_symmetry_dataset & test_refine_cell failure

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

I can't reproduce. Can you give more details?
Such as your computer system, how you installed it, ...

Togo

On Thu, Jul 30, 2020 at 4:32 PM fatemeh haddadi
<fat...@gm...> wrote:
>
> Hi,
>
> It's 1.15.1.
>
> Fatemeh
>
> On Thu, Jul 30, 2020 at 2:49 AM Atsushi Togo <atz...@gm...> wrote:
>>
>> 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
>> >
>> >
>> > _______________________________________________
>> > Spglib-users mailing list
>> > Spg...@li...
>> > https://lists.sourceforge.net/lists/listinfo/spglib-users
>>
>>
>>
>> --
>> Atsushi Togo



-- 
Atsushi Togo