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Fixed incorrect array size in diagMatSym
According to dsyevr documentation: - the matrix being diagonalized is overwritten. this is not happning in practice, but I added a temporary matrix - the vector of eigenvalues should hold N elements even if we only compute M<N elements. The latter point is important when we diagonalize a 4x4 matrix and only need the lowest eigenvalue (as in RMSD calculations). Notice that in practice the next element of the array is only accessed if there are two numerically identical eigenvalues, which happens when atoms are aligned on a straight line (unlikely)
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