Re: ADF 2002 EPR/NMR program

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Re: ADF 2002 EPR/NMR program

From: Marcel Swart <m.swart_at_email.domain.hidden>
Date: Thu, 28 Mar 2002 13:13:04 +0100

>Hi all,
>
>when testing ADF 2002 I find that the EPR/NMR property program deletes
>all its input and output, except for TAPE21 but including even the run
>script. This happens on all platforms tested (Linux, DEC, SGI) with
>SCM-compiled executables.

I find this hard to believe.

I can imagine the script to cleanup all *_0 files in case of parallel runs,
and all TAPE* and *INFO files being cleaned up by the ADF executable..

That the input and output file are removed, must be standing in the inputfile.
Could you send me the contents of the inputfile ?

-- 
Marcel Swart
Theoretische Chemie (MSC) / Moleculaire Dynamica (GBB)
Rijksuniversiteit Groningen
Nijenborgh 4
9747 AG Groningen
The Netherlands
m.swart_at_chem.rug.nl
http://go.to/m.swart
Received on 2002-03-28 14:21:29

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