Subject: CCL:Semi-empirical methods

From: "Jochen K�pper" <[email-masked]>
Date: Wed, 2 Feb 2000 09:29:35 +0100 (CET)

Deepak Singh writes:

 > MOPAC97, mopac6, mopac 7.  All open source and the latter two are free.  Mopac97
 > is relatively inexpensive when bought as part of winmopac from fujitsu.  The
 > source code is available in all cases.

Availabilty of source code doesn't automatically mean Open Source !
"Open Source" puts special needs on the software license, e.g. the
right to distribute modified versions, ... .
See  "Open Sources" published by O'Reilly and availabel online.

Jochen

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From: Deepak Singh <[email-masked]>
Date: Wed, 02 Feb 2000 10:05:50 -0500

Sorry abou t that.  Mix up of definitions.

Revise the list to mopac6 and mopac7, which  are open source

regards

Deepak

"Jochen Küpper" wrote:

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From: "Fred P. Arnold" <[email-masked]>
Date: Wed, 2 Feb 2000 10:03:10 -0600 (CST)

> Sorry abou that.  Mix up of definitions.
> 

Actually to echo Jochen's comment, technically, neither of the Mopacs are
actually 'open source'; rather they're 'public domain'.  The essential
(and lawyerly) difference being that you can make derivatives of Mopac6/7
without releasing those changes free back out to the outside world.

I can only think of one OpenSource QM program (MPQC, which is gpl'd),
though there are certainly other capable programs with pretty relaxed
licenses/user-agreements.  GAMESS-US, which comes under the relaxed
category, has pieces of mopac incorporated, and gives the advantages of
access to the symmetry routines and other analysis tools of the parent
package.  

If anyone has other examples, I'd be thrilled to know about them.

> "Jochen Küpper" wrote:
#edited: having the source doesn't mean open source #