The top-copy source code is MOPAC2007. This is written in FORTRAN 90/95, and is completely new. It is a translation 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. A beta-test was run from September 2006 until the end of January, 2007. The current version should be regarded as production ready, but because it is still in its first year, it is likely to still have many bugs.
In an effort to stimulate development of semiempirical methods and applications, emphasis is given to making the source code available to academic institutions. To this end, MOPAC2007 is written in a particularly simple style, a style that lends itself to facile modification. Any request from an academic institution for access to the source code must come from a department head or full professor. Requests should not be made directly from graduate students or junior professors.
Examples of possible projects are:
Developing better methods.
Addition of Raman intensities.
Phenomena related to magnetism and optical rotation.
Non-linear optical phenomena.
Liquid crystal properties.
Materials phenomena such as elastic moduli, tensile strength, and
compressibility.
A hope, but not a condition of making the source available, is that the developer would become a donor to the MOPAC project. If that is done, then the new functionality can be incorporated in subsequent versions of MOPAC, and the authors work would be more widely disseminated.
Copyright
2007, Stewart Computational Chemistry.