Source code for MOPAC2009 (Home)

 

 Source code

The top-copy source code is MOPAC2009.  It is the successor to MOPAC2007, which was written in FORTRAN 90/95.  MOPAC2007 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. 

For information on the cost of acquiring the source code, see Pricing.

Academic Research Projects

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, MOPAC2009 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.