[Vasp] Re: [PD] VASP future

sven ml.sven at subscience.de
Wed Mar 23 14:27:47 CET 2005

At 04:56 23.03.2005, dmotd wrote:

>   think perhaps if i could express vasp routines in a single
>    scriptlet, i would use it that way, but i still believe that for
>    vasp to be intuitive to new users in pd it needs singular objects.
>    so, could you please outline your ideas for the python based vasp
>    so that i can better understand how the app would function.

scriplets, that's exactly what you would do in python.
that hasn't much to do with vasp anymore.
pyext would be the bridge between pd and python, the logic
and computation is beeing done in python using numarray then.
check http://stsdas.stsci.edu/numarray/Doc/ for numarray docs


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