Visualizing paths #77
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…on_for_multi_scale_molecular_dynamics into visualizing_paths
sblackburn86
approved these changes
Sep 17, 2024
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This PR introduces code to generate "partial trajectories" from a reference configuration in order to probe de behavior of a SOTA model.
Some code to prepopulate an OVITO visualization pipeline is also presented.
The analysis that this code was used to generate can be seen here: https://www.notion.so/Analysing-Si-2x2x2-trajectories-from-EGNN_Sept_10-103690083be480129aa3c5cab6ac1638