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Updated random_state argument of AffinityPropagation calling to mute warning after update of scikit-learn v0.23.
Added punctuation marks at the end of every log messages.
When clustering does not converge return every point as exemplar.
Corrected the extraction of MOI from a list of mol objects. For the plotting of graphs in clustering.py renamed boolean var debug to plot and added a check-backup on the plot file. Removed useless chunk on isolated.py.
Implemented function to read energies of a set of finished calculations. Implemented auxiliary function equivalent to bash tail. Reformat blank spaces and add TODO lines
Moved get_rmsd from isolated.py to clustering.py and changed its functionality, now it expects a list of mol objects instead of a single mol object with multiple conformers in it.
Raise an error if clustering does not converge
Included printing the number of conformers generated and reformat documentation in isolated.py
Implemented clustering for Affinity matrices
Start v2 from scratch
Initial files