AMPAC Examples

This section of the manual gives examples of some of the specialized computational tasks that AMPAC™ can perform. It contains information on both the construction of data files and the interpretation of output files. Discussions of the theoretical underpinnings and fine points of the procedures will generally be provided in Chapter 3, Semiempirical Methods and Parameters and Chapter 4, Computational Procedures. Your copy of AMPAC includes an extensive set of data files for testing and validating most of the program's functions. These files will be used here for reference and illustration.