evaluate
public double evaluate(double currentValue,
double min,
double max)
this smooth function is used in ONIOM-XS method. for details please see:
"ONIOM-XS: An extension of the ONIOM method for molecular simulation in condensed phase"
Chemical Physics Letters, Volume 355, Number 3, 2 April 2002, pp.
257-262(6).
- Specified by:
evaluate
in interface SmoothFunction
- Parameters:
currentValue
- , currentValue(variable) in smooth function
min
- , minimum value in smooth function
max
- , maximum value in smooth function
- Returns:
- smooth factor