Keywords¶

Summary of all keywords¶

Accuracy

Type:	Float
Default value:	1.0
Description:	Expert option: GFNFF accuracy parameter. Several thresholds within GFNFF depend on this accuracy parameter. Must be a positive number. Smaller values of Accuracy will result in larger distance thresholds.

ForceFieldFile

Type:	String
Default value:
GUI name:	GFNFF parameter file
Description:	Path to a GFNFF parameter file

Type

Type:	Multiple Choice
Default value:	AngewChem2020_2
Options:	[AngewChem2020, AngewChem2020_1, AngewChem2020_2, FromFile]
Description:	Type of GFNFF to be used