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. 2020 May 6;16(6):3989–4001. doi: 10.1021/acs.jctc.0c00257

Figure 3.

Figure 3

Evolution of the Euclidean norm of the gradient (solid lines) and step size (dashed lines), in Cartesian coordinates and atomic units, during the optimization for 4 selected cases. Data for RS-RFO in blue and for RVO in black.