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. Author manuscript; available in PMC: 2013 Sep 30.
Published in final edited form as: J Comput Chem. 2012 Jun 18;33(25):1981–1996. doi: 10.1002/jcc.23025

Figure 3.

Figure 3

Qualitative map in parameter space (qD, N) of the region of best performance for the three different algorithms to compute Debye sums. The numbers in the graph indicate the optimal maximum level of the octree for the hierarchical algorithm.