Subject: Chemistry in C++

From: [email-masked] (John Nicholas)
Date: Mon, 12 Aug 1996 14:43:47 -0700

Hi, I'd like to know about public domain chemistry codes
written in C++. 

Thanks in advance. John

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  John Nicholas                                 Office: (509) 375-6559
  Senior Research Scientist                        FAX: (509) 375-6631
  Environmental Molecular Sciences Laboratory     
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From: Kenneth Geisshirt <[email-masked]>
Date: Mon, 12 Aug 1996 17:39:16 -0600 (MDT)

> Hi, I'd like to know about public domain chemistry codes

Some of the utilities which come with GroMacs are written is C++. But it
is not a PD program. But some of the basic numeric algorithms have been
written in C++ (like matrix manipulations) - see the list of freeware
numerical code in C/C++.

But what about chemistry code in Java? How has some examples of that?

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                           |
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|     Old chemists don't die - they just reach equilibrium        |
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