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Supporting Code and Data for 'Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation'

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Zenodo2026-05-20 更新2026-05-26 收录
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Data and scripts for "Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation". Necessary python modules can be found in requirements.txt. Additionally, a LAMMPS install is required which includes the ML-PACE and REPLICA packages. LACT is also required. scripts/ contains all of the main scripts used for continuation and analysis. A summary of what each script does can be found in scripts/README.md. utils/ contains helpful utility functions used by a number of scripts. Four investigations are present: broad_exploration (used to generate figures 4 and C1). detailed_exploration (used to generate figures 2 and 3). neb_si (used to generate figure A1) overdamped_dynamics_si (used to generate figures D1 and D2) Please view the README.md files in each for more details. If the use or modification of anything provided here results in a publication, please cite the zenodo repository and associated paper.

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Zenodo
创建时间:
2026-01-30
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