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The tutorial consists of a number of exercises and a few accompyaning C-programs, meant to illustrate several aspects of TPS.
The first exercise ( ps , pdf ), is about a basic implementation of path sampling algorithm in a 2D potential using
Langevin dynamics. This exercise is meant to get a feeling of the way path sampling works on an algorithmic level.
It should be possible to program the exercise from scratch, but for completeness we included an example program .
The second exercise ( ps , pdf ) explores the dynamics of a diatomic in a simple fluid using transition path sampling of deterministic trajectories.
The program suite is here .
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