TITLE - nwchemgit/nwchem GitHub Wiki

Specify job title.

This top-level directive allows the user to identify a job or series of jobs that use a particular database. It is an optional directive, and if omitted, the character string containing the input title will be empty. Multiple TITLE directives may appear in the input file (e.g., the water example file) in which case a task will use the one most recently specified. The format for the directive is as follows:

TITLE 

The character string

<title>

is assigned to the contents of the string following the TITLE directive. If the string contains white space, it must be surrounded by double quotes. For example,

title "This is the title of my NWChem job"

The title is stored in the database and will be used in all subsequent tasks/jobs until redefined in the input.