[gpaw-users] Use setup outside of GPAW_SETUP_PATH directory?

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Thu Dec 2 08:12:00 CET 2010


On Wed, 2010-12-01 at 14:42 -0600, William Parker wrote:
> Hello,
> 
> Is there a way to tell GPAW to use a setup outside of the GPAW_SETUP_PATH directory?  Is this what the --setups option does from the command line?  I couldn't make it work for me nor could I find any clear indication in the documentation.

Yes, you can use --setups for that:


https://wiki.fysik.dtu.dk/gpaw/documentation/manual.html#command-line-arguments

Alternatively, you can do it in your script:

    from gpaw import setup_paths
    setup_paths.insert(0, '/path/to/your/setups')

Jens Jørgen

>  
> *********************************************************
>   William D. Parker                 phone: (630) 252-1775
>   Computational Postdoctoral Fellow   fax: (630) 252-4798
>   MSD-212, Rm. C-215
>   Argonne National Laboratory
>   9700 S. Cass Ave.
>   Argonne, IL 60439
> *********************************************************
> 
> 
> 
> 
> 
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users



More information about the gpaw-users mailing list