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This repository was archived by the owner on Jun 13, 2025. It is now read-only.
CluE currently is unable to handle high spin nuclei due to hard coded limitation and O(I^n) memory pre allocation for spin operators where I is the spin multiplicity and n is the maximum cluster size.
parseNuclei.m lines 436 to 492, does not handle spin multiplicity greater than 3
generateSpinOperators.m line 35, matrix becomes too large under high spin. For example with a spin multiplicity of 8 and max cluster size of 2 the matrix becomes 8^2 x 8^2 x (number of spin operators) large.