I am interested in modifying the parameters of a KIM model - e.g. “SW_StillingerWeber_1985_Si__MO_405512056662_005” - and performing some calculations using ASE within a Jupyter notebook.
Using the KimPy interface I can create a kimpy.model.Model object, with which I can see the number, type and value of the different parameters, and I can also set their values within this object.
My question is, how can I feed these changes to the parameters through to an ASE calculator?
Apologies if this is a simple question / if this is the wrong way to approach this problem, but I am still fairly new to OpenKIM !
Thanks in advance,