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4 GENERAL PROGRAM STRUCTURE

This chapter gives an overview of the most important features of MOLPRO. For the new user, it is essential to understand the strategies and conventions described in this section, in particular the meaning of files and records, and the use of symmetry. This chapter will focus on general aspects; detailed information about each command will be given in later chapters. Information about commands and parameters can also be obtained using the MOLPRO help facility (see section 4.13).



Subsections

molpro@molpro.net 2017-10-23