CCL: New version of MOPAC with PM6
- From: "Jimmy Stewart"
<MrMOPAC__OpenMOPAC.net>
- Subject: CCL: New version of MOPAC with PM6
- 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.
( ++ ++ )
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