SUMMARYThe primary objectives of the present exposition are to: (i) provide a generalized uniÿed mathematical framework and setting leading to the unique design of computational algorithms for structural dynamic problems encompassing the broad scope of linear multi-step (LMS) methods and within the limitation of the Dahlquist barrier theorem (Reference [3], G. Dahlquist, BIT 1963; 3:27), and also leading to new designs of numerically dissipative methods with optimal algorithmic attributes that cannot be obtained employing existing frameworks in the literature, (ii) provide a meaningful characterization of various numerical dissipative/non-dissipative time integration algorithms both new and existing in the literature based on the overshoot behavior of algorithms leading to the notion of algorithms by design, (iii) provide design guidelines on selection of algorithms for structural dynamic analysis within the scope of LMS methods. For structural dynamics problems, ÿrst the so-called linear multi-step methods (LMS) are proven to be spectrally identical to a newly developed family of generalized single step single solve (GSSSS) algorithms. The design, synthesis and analysis of the uniÿed framework of computational algorithms based on the overshooting behavior, and additional algorithmic properties such as second-order accuracy, and unconditional stability with numerical dissipative features yields three sub-classes of practical computational algorithms: (i) zero-order displacement and velocity overshoot (U0-V0) algorithms; (ii) zero-order displacement and ÿrst-order velocity overshoot (U0-V1) algorithms; and (iii) ÿrst-order displacement and zero-order velocity overshoot (U1-V0) algorithms (the remainder involving high-orders of overshooting behavior are not considered to be competitive from practical considerations). Within each sub-class of algorithms, further distinction is made between the design leading to optimal numerical dissipative and dispersive algorithms, the continuous acceleration algorithms and the discontinuous acceleration algorithms that are subsets, and correspond to the designed placement of the spurious root at the low-frequency limit or the high-frequency limit, respectively. The conclusion and design guidelines demonstrating that the U0-V1 algorithms are only suitable for given initial velocity problems, the U1-V0 algorithms are only suitable for given initial displacement problems, * Correspondence to: K. K. Tamma and the U0-V0 algorithms are ideal for either or both cases of given initial displacement and initial velocity problems are ÿnally drawn. For the ÿrst time, the design leading to optimal algorithms in the context of a generalized single step single solve framework and within the limitation of the Dahlquist barrier that maintains second-order accuracy and unconditional stability with/without numerically dissipative features is described for structural dynamics computations; thereby, providing closure to the class of LMS methods.