[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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