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B.3 $rem Variable List

B.3.1 Overview

(July 14, 2022)

The general format of the $rem input for Q-Chem text input files is simply as follows:

$rem
   rem_variable   rem_option   [comment]
   rem_variable   rem_option   [comment]
$end

This input is not case sensitive. The following sections contain the names and options of available $rem variables for users. The format for describing each $rem variable is as follows:

REM_VARIABLE

REM_VARIABLE
       A short description of what the variable controls
TYPE:
       Defines the variable as either INTEGER, LOGICAL or STRING.
DEFAULT:
       Describes Q-Chem’s internal default, if any exists.
OPTIONS:
       Lists options available for the user
RECOMMENDATION:
       Gives a quick recommendation.