From owner-chemistry@ccl.net Thu Sep 21 17:11:00 2006
From: "Jimmy Stewart MrMOPAC!^!OpenMOPAC.net" <owner-chemistry.:.server.ccl.net>
To: CCL
Subject: CCL: New version of MOPAC with PM6
Message-Id: <-32589-060921163151-19007-Ea4Sq7G4rMZEo+GmGI/yVA.:.server.ccl.net>
X-Original-From: "Jimmy  Stewart" <MrMOPAC__OpenMOPAC.net>
Date: Thu, 21 Sep 2006 16:31:51 -0400


Sent to CCL by: "Jimmy  Stewart" [MrMOPAC ~ OpenMOPAC.net]
A version of MOPAC containing the new semiempirical method PM6 can be downloaded from HTTP://OpenMOPAC.net.  This method has parameters for 70 elements.

MOPAC 7.2 is a wholly new program; a translation into FORTRAN 90 of the 1991 public-domain FORTRAN-70 program MOPAC 7.0, enhanced by the addition of the new NDDO method PM6, and incorporating several donated functions.  Because it's new, it's still very buggy, and has limited functionality.  Currently, it is primarily a vehicle for PM6.

Fixing bugs is easy, but detecting them is very slow.  So, in an attempt to speed up the development of the new program, a fully functional, but time-limited, version is made available for download, in the hope that users who find faults or want to express opinions will provide feedback.  


                         ( ++ ++ )
 .-----------------oOOo----(_)----oOOo--------------------------------------.
 | James J. P. Stewart                 |                                    |
 | Stewart Computational Chemistry LLC | E-mail:  MrMOPAC++OpenMOPAC.net     |
 | 15210 Paddington Circle             |  39/03/15 N, 104/49/29 W           |
 | Colorado Springs CO 80921-2512      | http://OpenMOPAC.net/              |
 | USA                   .ooo0         | Phone: USA +(719) 488-9416         |
 |                       (   )   Oooo. |                                    |
 .------------------------\ (----(   )--------------------------------------.
                           \_)    ) /
                                 (_/