Subject: Re: CCL:Question: calc. of PED (potential energy distrib.)

From: Kris Van Alsenoy <[email-masked]>
Date: Wed, 28 Feb 1996 12:31:21 +0100 (MET)

Dear Dr. Kazimirski,
Dear Netters,

Jan Martin and myself have develloped the utility gar2ped (a fortran 
program) which reads a GAUSS archive record containing the cartesian 
second derivatives and calculates PED's and a few other things. 

sincerely,
  Kris Van Alsenoy
  [email-masked]

On Mon, 26 Feb 1996, Jan Kazimirski wrote:

> 
> Dear Netters
> 
> 
> One of my friends (not subscribed to CCL - yet(:-()) asked me to
> send his question to the list. The question is:
> 
>  "Can you recommend any program (commercial or academic) which
>   calculates PED (potential energy distribution) based on
>   Gaussian 94 - calculated vibrational normal modes?"
> 
> We both (me and my friend) would be grateful for any information.
> Thanks in advance.
>                                  
>                                            Jan Kazimirski
>                                   e-mail: [email-masked]
>   
> 
> 
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