The Jaguar Input File

This chapter describes the Jaguar input file and how to use it to run Jaguar from the command line. You might want to run Jaguar from the command line in order to submit a job at a later time when computers are less busy, to use batch scripts to run multiple jobs in succession, or to automate job submission with input files created by using other programs or by creating and editing input files yourself.

The topics listed below discuss the Jaguar input file format, describing the general file format first, then describing each section of the input file, starting with the geometry input (zmat) and the keyword (gen) sections.

In the tables, default values of keywords are set in bold italic.