pwtools.thermo.Gibbs.set_fitfunc

Gibbs.set_fitfunc(what, func)

Update dict with fitting functions: self.fitfunc[what] = func.

Parameters:

• what (str) – One of self.fitfunc.keys()

• func (callable) – function with signature func(x,y) which returns a Spline-like object, e.g. Spline(x,y,k=5)