[gpaw-users] [gpaw-developers] Updating the GPAW wiki for Ehrenfest dynamics

[Jens Jørgen Mortensen]

On 11/28/2016 04:48 PM, Toma Susi wrote:
> Hi,
>
> Very sorry about the delay, I finally got around to doing this. 
> However, I immediately run into an urllib2.py issue reminiscent of 
> what I encountered with "gpaw --install-data" 
> (https://listserv.fysik.dtu.dk/pipermail/gpaw-users/2016-June/004128.html):
>
> tomasusi at imacsusi:*~/gpaw/doc*$ make
> sphinx-build -b html -d build/doctrees  -n . build/html
> *Running Sphinx v1.4.4*
> making output directory...
>
> *Exception occurred:*
> File 
> "/usr/local/Cellar/python/2.7.12/Frameworks/Python.framework/Versions/2.7/lib/python2.7/urllib2.py", 
> line 1198, in do_open
>   raise URLError(err)
> URLError: <urlopen error [SSL: CERTIFICATE_VERIFY_FAILED] certificate 
> verify failed (_ssl.c:590)>
> *The full traceback has been saved in 
> /var/folders/8n/_v135h7x4dl2wfy0q4r_f7kh0000gn/T/sphinx-err-igwYlL.log, 
> if you want to report the issue to the developers.*
> Please also report this if it was a user error, so that a better error 
> message can be provided next time.
> A bug report can be filed in the tracker at 
> <https://github.com/sphinx-doc/sphinx/issues>. Thanks!
> documentation/askhl_10302_report.pdf make: *** [html] Error 1
>
> I don't believe we found any solution for this yet?

Do we have any macos people here?  Did you try to google it?

Jens Jørgen

>
> Incidentally, we have also implemented an STS (scanning tunneling 
> spectroscopy, dI/dV) function to the stm.py module, which we could 
> commit and document, but I'm afraid I don't have the time to start 
> debugging these issues myself...
>
> Best,
> Toma
>
>
>> On 10 Jun 2016, at 10:00, Jens Jørgen Mortensen <jensj at fysik.dtu.dk 
>> <mailto:jensj at fysik.dtu.dk>> wrote:
>>
>> Den 07-06-2016 kl. 13:22 skrev Toma Susi:
>>> Dear developers,
>>>
>>> As you probably remember, Ari Ojanperä (formerly at Aalto, these 
>>> days at QuantumWise) implemented TDDFT Ehrenfest dynamics into GPAW. 
>>> I recently got interested in trying out some things, and Ari kindly 
>>> shared his almost complete documentation and script examples with me.
>>>
>>> The code seems to run quite well, and I was thinking I could update 
>>> the GPAW Wiki 
>>> (https://wiki.fysik.dtu.dk/gpaw/devel/projects/ehrenfest.html) with 
>>> the information. What is the procedure for contributing, do I gain 
>>> edit access somehow or just submit the page in some format?
>>
>> That would be great.  Thank you for doing this!  You can read all 
>> about how to do it on the ASE web-page (it works the same way for GPAW):
>>
>> https://wiki.fysik.dtu.dk/ase/development/contribute.html
>> https://wiki.fysik.dtu.dk/ase/development/writing_documentation_ase.html
>>
>> Just ask if you need any help.
>>
>> Jens Jørgen
>>
>>>
>>> Cheers,
>>> Toma
>>>
>>> ------------------------------------------------------------------------
>>> Dr. Toma Susi
>>> Principal investigator
>>> FWF Project HeQuCoG
>>> University of Vienna, Austria
>>> http://mostlyphysics.net <http://mostlyphysics.net/>
>>>
>>>
>>>
>>> _______________________________________________
>>> gpaw-developers mailing list
>>> gpaw-developers at listserv.fysik.dtu.dk
>>> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-developers
>>
>>
>