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  1. simulating-Langevin-dynamics simulating-Langevin-dynamics Public

    A demonstration of molecular dynamics simulation of Langevin dynamics based on Verlet algorithm.

    Jupyter Notebook 2

  2. simple-metadynamics simple-metadynamics Public

    1-dim example metadynamics demonstration in python.

    Jupyter Notebook 2

  3. cheat-sheet cheat-sheet Public