This manual is organized as follows: The next chapter gives an overview of the
general structure of MOLPRO. It is essential for the new user to read this
chapter, in order to understand the conventions used to define the symmetry,
records and files, orbital spaces and so on. The later chapters, which describe
the input of the individual program modules in detail, assume that you are
familiar with these concepts.
The appendices describe
details of running the program,
the installation procedure.
1 HOW TO READ THIS MANUAL
Throughout this manual, words in Typewriter Font denote keywords recognized
by MOLPRO. In the input, these have to be typed as shown, but may be in
upper or lower case. Numbers or options which must be supplied by the user are in
italic. In some cases, various different forms of an input record are
possible. This is indicated as options, and the possible options are
described individually in subsequent subsections.