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Detect instantonic jumps in trajectories of supercooled liquids

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detectInstantons

Detect instantonic jumps in trajectories of supercooled liquids (see https://arxiv.org/abs/2103.08060)

Input data have to be .xyz files at the moment

See the jupyter notebook for an example how to use the code

packages used: numpy, matplotlib, scipy.interpolate, scipy.optimize, pandas, tqdm

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Detect instantonic jumps in trajectories of supercooled liquids

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  • Python 57.7%
  • Jupyter Notebook 42.3%