[ase-users] Calculating surface areas for facets of Wulff nanoparticles

Jens Jørgen Mortensen jjmo at dtu.dk
Wed Oct 21 10:35:24 CEST 2020


Den 21.10.2020 kl. 10.29 skrev Andrew Logsdail:
>> On 21/10/2020, 07:54, "Jens Jørgen Mortensen" <jjmo at dtu.dk> wrote:
>>
>>     > I would recommend Wulffpack, which builds on ASEs infrastructure
>>     > (https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwulffpack.materialsmodeling.org%2F&amp;data=04%7C01%7CLogsdailA%40cardiff.ac.uk%7C0079c5bcd1164325427f08d8758e2109%7Cbdb74b3095684856bdbf06759778fcbc%7C1%7C0%7C637388600588031018%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&amp;sdata=xKfqBMWaqMi6b31bUYrHO2PH1kYKmuJ3xlPaz1KocLg%3D&amp;reserved=0). It provides the
>>     > functionality you are requesting.
>>
>>     How about adding Wulffpack to the list here:
>>
>>          https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwiki.fysik.dtu.dk%2Fase%2Fotherprojects.html&amp;data=04%7C01%7CLogsdailA%40cardiff.ac.uk%7C0079c5bcd1164325427f08d8758e2109%7Cbdb74b3095684856bdbf06759778fcbc%7C1%7C0%7C637388600588040975%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&amp;sdata=%2BKP8ULLv7TVKLnYd62bwqrRArcaEupdc9xyy2lCG2p8%3D&amp;reserved=0
>>
>>     Jens Jørgen
> 
> In principle this is a great idea, and I'd be happy to do it, but clicking through to "Page Source" returns a gitlab error:
> "doc/otherprojects.rst" did not exist on "master".
> 
> In fact, I cannot find this page on the gitlab at all?

Hmm, we should fix that link.  The page was recently renamed.  Here it is:

     https://gitlab.com/ase/ase/blob/master/doc/ecosystem.rst
     https://wiki.fysik.dtu.dk/ase/dev/ecosystem.html

Jens Jørgen

> 
> All the best,
> 
> Andy
> 
> 
>> 
> Dr. Andrew Logsdail
> 
> School of Chemistry,
> Cardiff University,
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