inconvinient label names

Issue #14 resolved
Jacob Boes created an issue

In the utilities file, there is a dash added at the following line:

https://bitbucket.org/andrewpeterson/amp/src/d77911fa30327532b75207dd8aa9c0792ba1e578/utilities.py?at=master&fileviewer=file-view-default#utilities.py-334

Without the dash, the label and dblabel keys can be used to easily organize runs by directory or prefix, rather than just prefix. This is convenient when attempting a large number of runs simultaneously, especially since much of the data is universal to all of the attempts (e.g. fingerprints, neighborlist, and training data).

Usage syntax would look like:

from amp import Amp from amp.descriptor import Behler from amp.regression import NeuralNetwork

calc = Amp(label='./networks/db0/40-8-8-1/', dblabel='./networks/db0/', descriptor=Behler(cutoff=6.5), regression=NeuralNetwork(hiddenlayers=(2, 8)))

calc.train('./networks/db0/train.db', cores=8, extend_variables=False)

This eliminates the need to manually change the directory and makes the output file names consistent for easier enumeration later on.

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