[ase-users] Phase diagram: only_show_simplices

Jens Jørgen Mortensen jjmo at dtu.dk
Wed Feb 5 07:34:13 CET 2020


Den 04.02.2020 kl. 15.34 skrev Jens Jørgen Mortensen via ase-users:
> On 1/27/20 8:41 AM, Adam Carlsson via ase-users wrote:
>> Dear ASE users,
>>
>> I am following the tutorial of the genetic algorithm (GA), 
>> https://wiki.fysik.dtu.dk/ase/tutorials/ga/ga_convex_hull.htmland when 
>> running the following script, which may be found in the previous link, 
>> I stumble upon an error regarding the “only_show_simplices” input 
>> argument of a phasediagram class.

...

>> And when investigating the phasediagram.py, I can not obtain any 
>> information regarding the alternative of only showing simplices? Hence 
>> I am wondering if the “only_label_simplices” is a valid input argument 
>> or not?
>> I would very much like to have the alternative of only demonstrating 
>> the simplices and I have previously tried to implement the feature but 
>> with no success. I would very much like to have some clarity regarding 
>> this input tag for phasediagrams.
>>
>> I should mention I am running ASE/3.18 and Python/3.7.2
> 
> Thanks for reporting this.  Those two plotting options have 
> unfortunately been removed.  I'll add them again.  Until that happens, 
> you can also call plot2d2() directly to get the raw data and the use 
> that to create exactly the plot you want.

Fixed in master now.

Jens Jørgen

> Jens Jørgen
> 
>>
>> Best regards,
>>
>> Adam Carlsson
>>
>>
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> 
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