Subject: GACS: Summary and some questions

From: Herbert Homeier (t4720) <[email-masked]>
Date: Mon, 18 Jul 94 17:08:28 +0200

Hello all,

I include the original contribution to CCL and the answers which I received.
Many thanks for all contributions.

In addition, I contacted also Ron Boisvert who has developed the GAMS
system. He offered help (see at the end) and sent me some files/reprints 
describing the GAMS system. Thank you very much, Ron. 

I offer to coordinate the GACS project (for some time).
Unfortunately, I cannot do all the work myself. Any help is appreciated.

I propose to structure the GACS in analogy to the GAMS. 

Please let me know if 
a) you want to be on my mailing list for the GACS project and/or
b) you would like to contribute to it.

Please send copies of further comments and proposals concerning GACS to me.
These could include the user interface (which protocols are necessary, which
are desirable), the tree structure of problems/subproblems (or alternatives to
such a structure), quality control (who should do it, what should be the
criteria), already available databases and software archives which should
participate (as, for instance, QCPE ; remember: the GACS should be 
-- like GAMS -- a virtual software repository providing links to places 
where the software is physically stored. Thus, it is not intended to replace 
QCPE ...).

Now my questions: What is a good estimate for the number of  useful 
(commercial and noncommercial) chemical software moduls which are available
now? What do you estimate to be available in five years? If you can give an
estimate for a particular field (eg, molecular modeling, ab initio programs,
etc) only, I also would like to know.

Best regards

Herbert

--------------------------------------------------------------
Dr. Herbert H. H. Homeier
Institut fuer Physikalische und Theoretische Chemie
Universitaet Regensburg
D-93040 Regensburg, Germany
Phone: +49-941-943 4720                FAX  : +49-941-943 2305
email: [email-masked]
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Original Contribution: