Supporting Code and Data for 'Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation'
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| Format: | Recurso digital |
| Langue: | anglais |
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2026
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| _version_ | 1866902075231698944 |
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| author | Birks, Fraser Ghanem, Ibrahim Pastewka, Lars Kermode, James Buze, Maciej |
| author_facet | Birks, Fraser Ghanem, Ibrahim Pastewka, Lars Kermode, James Buze, Maciej |
| contents | <p>Data and scripts for "Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation".</p> <p>Necessary python modules can be found in <code>requirements.txt</code>. Additionally, a <code>LAMMPS</code> install is required which includes the <code>ML-PACE</code> and <code>REPLICA</code> packages. <a href="https://github.com/mbuze/LACT">LACT</a> is also required.</p> <p><code>scripts/</code> contains all of the main scripts used for continuation and analysis. A summary of what each script does can be found in <code>scripts/README.md</code>.</p> <p><code>utils/</code> contains helpful utility functions used by a number of scripts.</p> <p>Four investigations are present:</p> <ul> <li><code>broad_exploration</code> (used to generate figures 4 and C1).</li> <li><code>detailed_exploration</code> (used to generate figures 2 and 3).</li> <li><code>neb_si</code> (used to generate figure A1)</li> <li><code>overdamped_dynamics_si</code> (used to generate figures D1 and D2)</li> </ul> <p>Please view the README.md files in each for more details.</p> <p>If the use or modification of anything provided here results in a publication, please cite the zenodo repository and associated paper.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18393712 |
| institution | Zenodo |
| language | eng |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Supporting Code and Data for 'Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation' Birks, Fraser Ghanem, Ibrahim Pastewka, Lars Kermode, James Buze, Maciej <p>Data and scripts for "Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation".</p> <p>Necessary python modules can be found in <code>requirements.txt</code>. Additionally, a <code>LAMMPS</code> install is required which includes the <code>ML-PACE</code> and <code>REPLICA</code> packages. <a href="https://github.com/mbuze/LACT">LACT</a> is also required.</p> <p><code>scripts/</code> contains all of the main scripts used for continuation and analysis. A summary of what each script does can be found in <code>scripts/README.md</code>.</p> <p><code>utils/</code> contains helpful utility functions used by a number of scripts.</p> <p>Four investigations are present:</p> <ul> <li><code>broad_exploration</code> (used to generate figures 4 and C1).</li> <li><code>detailed_exploration</code> (used to generate figures 2 and 3).</li> <li><code>neb_si</code> (used to generate figure A1)</li> <li><code>overdamped_dynamics_si</code> (used to generate figures D1 and D2)</li> </ul> <p>Please view the README.md files in each for more details.</p> <p>If the use or modification of anything provided here results in a publication, please cite the zenodo repository and associated paper.</p> |
| title | Supporting Code and Data for 'Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation' |
| url | https://doi.org/10.5281/zenodo.18393712 |