Subject: Argus Integrals Source Code Distribution

From: <[email-masked]>
Date: Sat, 19 Feb 94 15:08:11 -0800

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Software Distribution of Argus integrals source code 
release 1.0
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I've had several requests over the last 1-2 years from graduate
students for access to Argus source code so that they could
write/enhance their own codes (as I did when I was a grad student).

I've decided to distribute some of the integrals code, used in 
Argus, for computing integrals over contracted gaussians. This 
is not a distribution of the entire Argus program, but merely 
some its integral routines.

The code uses the Rys-King-Dupuis method for solving integrals.
(see the routines for relevant literature references).

The code is by no means state-of-the-art, but should be useful
for students and others that want something to start with for
modification and use in their own codes. It is first-pass
code that I have not further enhanced or modified.  Some of
it is probably very slow and crude by today's standards.

This software is not for the casual user, but for someone
who wants to do some software development and have some
starting code to hack on.

The code is very well documented and pretty clean reading.

The code is written in C.

This software is copyright protected, but is being freely 
licensed for use in your own non-commercial code development. 
There are restrictions placed on the use of the code: specifically 
IT MAY NOT BE USED IN COMMERCIAL SOFTWARE DEVELOPMENT OR 
PLACED INTO ANY COMMERCIAL PRODUCTS OR DISTRIBUTED IN ANY 
COMMERCIAL FASHION. Another condition of use is that you 
agree to send me back bug fixes, enhancements etc so that 
they can be noncommercially redistributed in future versions. 
Read the License.doc (included in the distribution tar file) 
for a complete description of the license agreement which 
you must agree to before you can keep and use this code!! 
This is NOT PUBLIC DOMAIN SOFTWARE!  

Our funding agencies likes to know we are making a positive
impact on the computational chemistry field. Therefore,
please drop me a short email letting me know if you have
downloaded the integrals code.  I will not distribute your
names in any fashion, but I will have to report at the end
of each year, how many people have used the software we 
distribute.

This will help ensure continued distribution of the software
in the future. 

The code and related files are contained in the file
argusints.tar which you can obtain via anonymous ftp from 
pnlg.pnl.gov (130.20.64.11) (in the argus directory).
Remember to use binary ftp.

Download the README_INTS file first for some general
instructions.

Happy code hacking.

Mark Thompson

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Mark A. Thompson                    
Sr. Research Scientist              email:  [email-masked]
Molecular Science Research Center   FAX  :  509-375-6631
Pacific Northwest Laboratory        voice:  509-375-6734
PO Box 999, Mail Stop K1-90
Richland, WA.  99352

Argus available via anonymous ftp from pnlg.pnl.gov (130.20.64.11) (in the
argus directory).  Download the README_ARGUS file first.

Argus integrals source code available via anonymous ftp from pnlg.pnl.gov 
(130.20.64.11) (in the argus directory).  Download the README_INTS 
file first.
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