Hello everyone, I am trying to perform cluster analysis for a crystalline-amorphous phase transition of ice. I wish to be able to isolate a particular cluster, and study its local energy and coordination during the phase transition. From reading Ovito documentation, I have a qualitative idea to visualize the clusters (ie, choosing the right cut off distance, sorting for cluster size, color coding to look at the number of clusters as a function of time, etc). I am now just a little stuck with the more quantitative analysis like isolating a cluster and calculating its local energy. I am wondering if anyone has any suggestions of things that I could do for this analysis, or if anyone knows some decent resources for me to read to learn how to do this work a bit better
Thanks!