Subject: MPQC

From: Eric Schwegler <[email-masked]>
Date: Wed, 5 May 1999 08:20:11 -0700 (PDT)

Hi Fred,
Just wanted to let you know that Curt Janssen is still 
maintaining (and improving) MPQC at Sandia. I know he 
has made several major improvements to the code over the 
last few years, so you should contact him to get the latest 
version. I believe his email address is: [email-masked]

-Eric

--

Eric Schwegler                        
Lawrence Livermore National Laboratory
P.O. Box 808, L-415                   
Livermore, CA 94551                   
---------------------------------------
email: [email-masked]
phone: 925-424-3098
  fax: 925-422-6594

Hello,
We've recently found the program MPQC (Massively Parallel Quantum 
Chemistry) by Curtis Janssen, et al., and some of the researchers (read:
graduate students) expressed an interest in it, due its support for
distributed parallel architecutures using MPI, excellent (theoretical)
scaling, and the use of the GNU Public License. (We have a strong Debian
movement at U. of C.)
However, the code seems to have frozen two years ago, the C++ is already
succumbing to software rot, and the authors are uncontactable.  Has anyone
done any work on this package, or know its present status?  Under the GPL,
we could theoretically start banging on it (at least move it from libg++
to libstdc++), but I'd like to know what its authors' plans are first.
    -Fred 
  Sb: Antimony                   Frederick P. Arnold, Jr.
   Mass: 121.75                 Advanced Research Systems@U. Chicago
   MP: 630.5 Deg C              5640 S. Ellis Ave
   Electronegativity: 1.82      Chicago, IL 60637A