Subject: repository

From: Deepak Singh <[email-masked]>
Date: Tue, 25 Jul 2000 10:09:48 -0400

Some days ago I posted the following

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Other than CCL, is anyone aware of a repository of computational (both
quantum and classical) source code?  These need not be complete
programs, but rather standard algorithms and routines used commonly by
the community.  I have found a few web sites, but none totally
satisfactory.

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Here is a summary of the answers  that I got.  My thanks to everyone. 

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Hi Deepak,

One of the largest depositories of computational chemistry 
source code remains QCPE at Indiana University.

http://qcpe.chem.indiana.edu/

Good luck, Don

Donald B. Boyd, Ph.D.
Editor, Reviews in Computational Chemistry

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The CCP5 group have maintained a repositary of sourcecode for many
years:

http://www.dl.ac.uk/CCP/CCP5/main.html

Hope this is of interest.

Tom Grey

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Hello,

for classical MD and MC codes, a nice page is:

http://www.dl.ac.uk/CCP/CCP5/librar.html

Hopefully, this helps!

Best regards

Wibke Sudholt
Institute of Theoretical Chemistry
Heinrich-Heine-University
Duesseldorf, Germany
[email-masked]

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The CCP5 Program library has a lot of code too.

http://www.dl.ac.uk/CCP/CCP5/main.html

Also the Computer Physics Communications library has some
atomistic/quantum codes.

http://www.cpc.cs.qub.ac.uk/cpc/

and finally there's a very good index at

http://www.csc.fi/~laaksone/docs/stuff.html

Keith Refson

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The very essence of the internet is that the
repository is dispersed - we don't need centralized
repositories any more, except for hubs to point to
the various locations.

Soaring Bear Ph.D. Research Pharmacologist
Scientific advisor to the health professions
http://soaringbear.com
[email-masked]
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Hi Deepak,
"Numerical Recipes" is not only a very good book 
which explains important routines, but has also 
the programs (written in Fortran, C,...) you can 
use as subroutines etc.; 
Regards,
Claudia.