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Figure 3
Dynamic programming algorithm (given in pseudocode) for the determination of the number of Wyckoff sequences of a given space group, subdivision complexity and length as determined by the total number of degrees of freedom for the Wyckoff multiplicity, Wyckoff arity and length (trivariate case). Note that ki = 1 for all Wyckoff sites – this does not have to be specified for each Wyckoff position independently. However, possible simplifications due to this fact have not been included in the pseudocode in order to highlight its similarity with the bivariate case shown in Fig. 2[link].

ISSN: 2053-2733
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