Cluster.py

This class is designed to hold all the information we need to record about clusters: Inputs (str) motif - the motif you want to get the number of atoms required to create it. (list) motif_details - the information required for the motif of interest (atoms) cluster - A cluster to sample (int) no_atoms - the number of atoms in the cluster (Calculator) calculator - The calculator to use (float) e_coh - The cohesive energy of the cluster (float) delta_energy - The delta energy of the cluster. (boolean) debug - Print any information to help us if we need to. Output (int) noAtoms - the number of atoms required to make the cluster of interest