Subject: Summary: vib. PED program

From: "Dale A. Braden" <[email-masked]>
Date: Fri, 12 Feb 1999 07:55:03 -0800 (PST)

Dear CCL,

A few days ago I asked about a program that could decompose vibrational
normal modes into a potential energy distribution based on internal
coordinates.  Thanks to all who responded, and here is the list:

GAMESS-US: set DECOMP=.TRUE. in the $FORCE section

REDONG: contact Alain Allouche (Marseilles, France)
                [email-masked]
        (this program will read G94 output files directly)

SVIB: see http://spiro.princeton.edu/~arka/info but this link has been
broken for a few days, so I don't really know that this program does what
I want.  One could contact the authors Arka Mukherjee and Thomas Spiro at
Princeton. 

NMODES: contact Siva Umapathy at [email-masked] (this program will read G94
files directly) 

Best wishes to all,

Dale

Dale Braden
Department of Chemistry
University of Oregon
Eugene, OR 97403-1253
[email-masked]