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. 2019 Apr 2;15(5):3390–3401. doi: 10.1021/acs.jctc.8b01231

Figure 2.

Figure 2

Cumulative distribution functions of Pearson’s correlation coefficient r given by eq 21 of the optimized weights obtained with the log-weights and forces methods with respect to the most optimal weights found in optimizations with different parameters for the LBFGS algorithm. The lowest r values for particular (M, N) combinations are shown in Figure 3.