[ase-users] [gpaw-users] ASE installation for windows

[Zahid Hasan]

If I save the result file in .pdb format with the commands

dyn = QuasiNewton(slab, trajectory='N2Cu.pdb')

is it possible to open the file and see the results in VMD?


On Thu, Nov 6, 2014 at 1:54 PM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>
wrote:

>  On 11/06/2014 01:17 PM, Zahid Hasan wrote:
>
> Dear all,
> Do I need to install Povray seperately to generate image? Is this the
> software provided in the website http://www.povray.org/download/
>
> yes, but povray won't work directly with ASE on windows due to Linux
> oriented os.system calls in
> https://trac.fysik.dtu.dk/projects/ase/browser/trunk/ase/io/pov.py
> (povray ... > /dev/null, etc.).
> Instead you can create the pov/ini povray files with an ASE python script
> and then open the pov file with povray.
>
> Another problem you may encounter is when using ase.lattice module.
> For some reasons the
> https://trac.fysik.dtu.dk/projects/ase/browser/trunk/ase/lattice/spacegroup/spacegroup.dat
> is not copied
> during the msi installation of ASE to
> C:\Python27\LIb\site-packages\ase\lattice\spacegroup.
> You need to download this file manually.
>
> Best regards,
>
> Marcin
>
>
>  Thanks,
> Zahid
>
> On Tue, Nov 4, 2014 at 11:52 AM, Zahid Hasan <missionpagla at gmail.com>
> wrote:
>
>> I will request to just upload seperate windows msi installers, which are
>> compatible with each other and updated.
>>
>> On Tue, Nov 4, 2014 at 11:48 AM, Zahid Hasan <missionpagla at gmail.com>
>> wrote:
>>
>>> I have deinstalled the ASE and installed the GPAW installer with ASE
>>> inside. But unfortunately the test scripts do not work. It works only when
>>> the seperate ASE installation is existing. Even after the GPAW test run it
>>> shows runtime error, although it delivers some results!!
>>>
>>> On Tue, Nov 4, 2014 at 11:35 AM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk
>>> > wrote:
>>>
>>>> Hi,
>>>>
>>>> yes, GPAW installer includes ASE.
>>>>
>>>> Best regards,
>>>>
>>>> Marcin
>>>>
>>>>
>>>> On 11/04/2014 10:59 AM, Zahid Hasan wrote:
>>>>
>>>>> The installer includes also the latest ASE
>>>>>
>>>>
>>>>
>>>
>>
>
>
> _______________________________________________
> ase-users mailing listase-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20141106/628ed9f1/attachment.html>