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Re: [abinit-forum] cut3d non interactively


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  • From: Josef Zwanziger <jzwanzig@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] cut3d non interactively
  • Date: Tue, 27 Oct 2009 09:43:02 -0300
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Hi there--

tests v5/11, 12, and 13 make den files and run cut3d
non-interactively. basically you just run cut3d < foo.bar, where
foo.bar is a file of the exact responses you want cut3d to use.

Joe

Josef W. Zwanziger
Professor of Chemistry
Canada Research Chair in NMR Studies of Materials
Director, Nuclear Magnetic Resonance Research Resource (NMR-3)
Dalhousie University
Halifax, NS B3H 4J3 Canada
tel: +1 (902) 494-1960
fax: +1 (902) 494-1867
web: http://jwz.chem.dal.ca
jzwanzig@gmail.com, jzwanzig@dal.ca



On Tue, Oct 27, 2009 at 9:02 AM, Tonatiuh Rangel
<Tonatiuh.Rangel@uclouvain.be> wrote:
> Dear all,
>
> Is it possible to run cut3d in a non-interactive way.
> Passing the arguments through the command or through an input file?
>
> Best
> Tonatiuh Rangel
>
>



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