Computation of energy above the convex hull for test compositions w.r.t. relevant entries in MaterialsProject (MP) or prepared references
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Unzip MP_composition_etotal.pickle.zip
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Prepare test compositions file in .csv format with two columns 'composition' and 'energy'
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(Optional) Prepare references file in .csv format with two columns 'composition' and 'e_total' or 'energy'
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Run python testCH.py -test your_test_file.csv