Validation Keywords in the Jaguar Input File

These keywords are used in conjunction with the valid section, and are not intended for general use.

The keywords valid_guess, valid_hess, and valid_rwr_svd control whether or not validation is done for these sections, or whether these sections are always removed. The keyword valid_sections controls whether or not validation is done for all dependent sections, or whether all such sections are removed, overriding settings for individual sections.

Keyword	Value	Description
valid_guess, valid_hess, valid_rwr_svd	0	Do not validate section, but use if present
	1	Validate section
	−1	Do not use section
valid_sections	0	Do not validate all dependent sections, but use if present)
	1	Validate all dependent sections
	−1	Do not use dependent sections
	−2	Defer to individual section settings
valid_tol	10^-6	Tolerance for Cartesian coordinate comparisons during validation