[Wien] request to Robert Laskowski

[Michael Sluydts]

While this is of course not the same as a global update of the files, it 
may be interesting to mention that these functions are all just matlab 
scripts in SRC_structeditor. So by using some simple matlab code you can 
quite quickly make your own functions to extend functionality.

In general you can just make a function file in an arbitrary path and 
then do addpath('~pathtoyourcustomfunctions~') to get access to them. I 
do this for quite a few system-specific operations, like adsorbing 
molecules to surfaces.


Kind regards,

Michael Sluydts





John Rundgren schreef op 4/06/2014 15:40:
> Dear W2k team,
>
> I should be much obliged if Robert Laskowski would introduce a new 
> structeditor command
>   so=orderallaintoconsecutivelayers(s,vec)
> analogous to
>   sm=movealla(s,vec).
>
> For instance, I have successfully designed the supercell
>   CORu0001-sqrt(3) x sqrt(3)R30deg
> using structeditor. In the absence of a specific structeditor command 
> I order the atoms by manual copying and pasting.
>
> In low energy electron diffraction research atomic ordering after 
> ascending coordinate normal to the surface is a rule. I like to hold 
> out LEED as a motivation for a specific structeditor command.
>
> Best,
> John Rundgren, KTH
>
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