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OCTVelocityTarget

Section Calculation Modes::Optimal Control
Type block

If OCTTargetOperator = oct_tg_velocity, then one must supply the target to optimize in terms of the ionic velocities. This is done by supplying a string through the block OCTVelocityTarget. Each velocity component is supplied by "v[n_atom,vec_comp]", where n_atom is the atom number, corresponding to the Coordinates block, and vec_comp is the corresponding vector component of the velocity. The target string can be supplied by using several lines in this block. As an example, the following target can be used to maximize the velocity difference between atom 1 and 2 (in a 3D system):

%OCTVelocityTarget
"(v[1,1]-v[2,1])^2 + (v[1,2]-v[2,2])^2 + "
"(v[1,3]-v[2,3])^2"
%



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