direct handling of atomistic clustering

[mgiulini]

Instead of accepting only the noisy sample, the user can directly provide the atomistic clustering. Use a command-line argument for this

[mgiulini]

for this task to become feasible the definition of the coarse-grained clustering must be independent of the original dataframe, but rather on the atomistic one. Is this good for the program? Not really, probably..

[mgiulini]

Using a config file #13 the parameter atclust can be set to True