ML LOGFILE: Difference between revisions
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[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]] | [[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:Alpha]] | ||
Revision as of 14:58, 26 February 2020
This file contains the main output for the machine learning force field method.
Most importantly it contains the error on energies, forces and stress tensors. The error is calculated as the mean error on the training data between ab initio and force field calculations.