DynamicsEngine.generate_n_frames #428
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jhprinz
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Jan 23, 2016
DynamicsEngine.generate_n_frames
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Adds a function to
DynamicsEngineto get multiple frames at once (generate_n_frames). This process is only implemented in the forward direction. If the user wants the reverse trajectory, the user can explicitly reverse -- under most such circumstances, it nerateould make more sense to use the existing infrastructure, if that is what is desired. This is intended for the many non-path-sampling examples where we generate a fixed length trajectory from an initial point.Overriding this default implementation could (with a few other tricks) allow for much faster implementations for fixed-length trajectories on small systems.