[ase-users] ase.gui errors

[Iyemperumal, Satish Kumar]

I am sure and I double checked the ASE gui version to be 3.10. The Numpy version I am using is '1.10.4'. 

Best,
Satish

________________________________________
From: Jens Jørgen Mortensen [jensj at fysik.dtu.dk]
Sent: Friday, February 19, 2016 4:12 AM
To: Iyemperumal, Satish Kumar; ase-users at listserv.fysik.dtu.dk
Subject: Re: [ase-users] ase.gui errors

On 02/18/2016 04:15 PM, Iyemperumal, Satish Kumar wrote:
> Thank you for the suggestion. I installed the latest development - 3.10.0 but the warning still persists.

Are you sure ase-gui is version 3.10?  Check the in the Help -> About
menu.  I forget what version of NumPy you were using?

Jens Jørgen

> Best,
> Satish
>
> ________________________________________
> From: Jens Jørgen Mortensen [jensj at fysik.dtu.dk]
> Sent: Thursday, February 18, 2016 1:24 AM
> To: Iyemperumal, Satish Kumar; ase-users at listserv.fysik.dtu.dk
> Subject: Re: [ase-users] ase.gui errors
>
> 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