Subject: regarding a New Hueckel Code

From: plucky <[email-masked]>
Date: Fri, 9 Aug 96 17:44:15 EET

Dear Computational Chemists,

   I hope that this posting's appearance doesn't override any rules. 
If it does I strongly apologize to you and to Jan as well. So, I have
written a Huckel code, which is compact, C++ likish and limited by its
semiempirical character. It can calculate energies, band structures for
sure. I would like to run a benchmark for this program and thus appeal
to the net for input files (up to 400 orbitals) and the relevant processing
time required by other programs to finish this file.
   If I persuade myself that the program is fast enough I am thinking of
distributing for a small fee (source code always). 

					John Koutselas
				      [email-masked]

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From: Kenneth Geisshirt <[email-masked]>
Date: Fri, 9 Aug 1996 11:12:44 -0600 (MDT)

Hello to all CCls

> distributing for a small fee (source code always). 

If I'm going to do benchmarks, the code must come under GPL. IMHO, you
can't ask the Net to help you to commersialise your code.

Stating the above comment, I'm happy to help you.

Happy computing
  Kenneth

+-----------------------------------------------------------------+
| Kenneth Geisshirt                                 Ph.D.-student |
| Department of Life Sciences and Chemistry,  Roskilde University |
| Currently at: University of Colorado at Boulder                 |
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| E-mail: [email-masked]                                      | 
| Homepage: http://virgil.ruc.dk/~kneth/index.html                |
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|     Old chemists don't die - they just reach equilibrium        |
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