[ase-users] ase.gui errors

[Jens Jørgen Mortensen]

On 02/17/2016 03:21 PM, Iyemperumal, Satish Kumar wrote:
> I do the following,
>
> from ase.io import *
> from ase.visualize import *
> s = read("POSCAR")
> view(s)
>
> Now, I go to the ase.gui interface and I do Ctrl+b to show interatomic bonds when the warning pops up on the terminal after the view(s) command above.

Could you try the latests development version of ASE?  You can get it here:

https://wiki.fysik.dtu.dk/ase/download.html#latest-development-release

Jens Jørgen

>
> Thank you.
>
> Best,
> Satish
>
> ________________________________________
> From: Jens Jørgen Mortensen [jensj at fysik.dtu.dk]
> Sent: Wednesday, February 17, 2016 12:52 AM
> To: Iyemperumal, Satish Kumar; ase-users at listserv.fysik.dtu.dk
> Subject: Re: [ase-users] ase.gui errors
>
> On 02/16/2016 03:29 PM, Iyemperumal, Satish Kumar wrote:
>> I am using ASE-3.9.1 and the following is for example one of the input POSCAR files.
>>
>> Ti  O
>>    1.0000000000000000
>>        3.8227608202801915    0.0000000000000000    0.0000000000000000
>>        0.0000000000000000    3.8227608202801915    0.0000000000000000
>>        0.0000000000000000    0.0000000000000000   18.7519999999999989
>>      2   4
>> Cartesian
>>     0.9556902050700479  1.2742536067600729  6.0392856716372387
>>     2.8670706152101437  1.2742536067600729  3.6269081046389466
>>     2.8670706152101437  1.2742536067600729  5.6108704328679284
>>     2.8670706152101437  3.1856340169001687  3.0880646701575074
>>     0.9556902050700479  3.1856340169001687  6.5781291061185456
>>     0.9556902050700479  1.2742536067600729  4.0553233434082561
> ... and then you do "ase-gui -b POSCAR" or how did you get that warning?
>
> Jens Jørgen
>
>> Best,
>> Satish
>>
>> ________________________________________
>> From: Jens Jørgen Mortensen [jensj at fysik.dtu.dk]
>> Sent: Tuesday, February 16, 2016 3:18 AM
>> To: Iyemperumal, Satish Kumar; ase-users at listserv.fysik.dtu.dk
>> Subject: Re: [ase-users] ase.gui errors
>>
>> Den 13-02-2016 kl. 23:13 skrev Iyemperumal, Satish Kumar:
>>> I updated ASE and now I can work with "ctrl+b" etc. But, there are still some deprecation warnings, and I am not sure if I should worry about it much.
>>>
>>> /usr/local/lib/python2.7/site-packages/ase/gui/view.py:217: VisibleDeprecationWarning: boolean index did not match indexed array along dimension 0; dimension is 109 but corresponding boolean dimension is 79
>>>      self.bonds[n2:, 1] = self.bonds[i, 0]
>> Can you send us the input file?
>>
>> Jens Jørgen
>>
>>> ...
>>> ...
>>> ...
>>>
>>> Best,
>>> Satish
>>>
>>> ________________________________________
>>> From: ase-users-bounces at listserv.fysik.dtu.dk [ase-users-bounces at listserv.fysik.dtu.dk] on behalf of Iyemperumal, Satish Kumar [siyemperumal at WPI.EDU]
>>> Sent: Friday, February 12, 2016 2:17 PM
>>> To: ase-users at listserv.fysik.dtu.dk
>>> Subject: [ase-users] ase.gui errors
>>>
>>> Hello all,
>>>
>>> I created a triclinic supercell that has lattice parameters as follows.
>>>
>>> Lattice vectors (as in VASP_POSCAR):
>>>
>>>      0.0000000000000000    7.6360000000000001    0.0000000000000000
>>>
>>>        -1.9090000000000000   -1.9090000000000000    4.8274999999999997
>>>
>>>        26.7259999999999991    0.0000000000000000    9.6549999999999994
>>>
>>> I get the following error when I do a Ctrl+b or repeat unit cells in ase.gui
>>>
>>> ufunc 'rint' output (typecode 'd') could not be coerced to provided output parameter (typecode 'l') according to the casting rule ''same_kind''
>>>
>>> Any suggestions on what might help resolve the issue?
>>>
>>> Best,
>>> Satish
>>>
>>> _______________________________________________
>>> ase-users mailing list
>>> ase-users at listserv.fysik.dtu.dk
>>> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users