Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures

IRA is a Fortran library that solves the shape matching problem for atomic structures, stored as sets of points representing positions. In case exact- and near-congruence, provides optimal rigid transformation between given by assignments, rotation/reflection matrix, translation vector. also able to operate on structures containing non-equal number atoms, i.e. structure any its fragments. Any application requires solution could benefit from IRA.