Keywords
********


Summary of all keywords
=======================


Engine GFNFF
------------

"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.

"EwaldTolerance"
   Type:
      Float

   Default value:
      1e-08

   Description:
      Expert option: Value of the error function that should be used
      to determine the cutoff radius for real-space Ewald summation if
      [Alpha] is set on input. Alternatively, if the [RealSpaceCutoff]
      is set but [Alpha] is not then the [Tolerance] value affects the
      [Alpha]. Larger values will make the real-space summation faster
      but less accurate.

"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
