{"id":23821142,"url":"https://github.com/lammpstutorials/lammpstutorials-article","last_synced_at":"2025-09-07T03:31:33.694Z","repository":{"id":244250499,"uuid":"814629088","full_name":"lammpstutorials/lammpstutorials-article","owner":"lammpstutorials","description":" LAMMPS tutorials for both beginners and advanced users: the article ","archived":false,"fork":false,"pushed_at":"2025-08-11T11:23:06.000Z","size":115236,"stargazers_count":26,"open_issues_count":2,"forks_count":1,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-08-11T12:24:21.069Z","etag":null,"topics":["beginner-tutorial-series","beginners","lammps","latex","livecoms","tutorials"],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"cc-by-4.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/lammpstutorials.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2024-06-13T11:35:59.000Z","updated_at":"2025-08-05T11:40:33.000Z","dependencies_parsed_at":"2024-06-13T17:23:24.216Z","dependency_job_id":"ba639b80-4a30-4b37-9fb9-c4a07a5b67a1","html_url":"https://github.com/lammpstutorials/lammpstutorials-article","commit_stats":null,"previous_names":["lammpstutorials/lammpstutorials-article"],"tags_count":3,"template":false,"template_full_name":null,"purl":"pkg:github/lammpstutorials/lammpstutorials-article","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lammpstutorials%2Flammpstutorials-article","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lammpstutorials%2Flammpstutorials-article/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lammpstutorials%2Flammpstutorials-article/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lammpstutorials%2Flammpstutorials-article/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/lammpstutorials","download_url":"https://codeload.github.com/lammpstutorials/lammpstutorials-article/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lammpstutorials%2Flammpstutorials-article/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273992388,"owners_count":25203734,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","status":"online","status_checked_at":"2025-09-07T02:00:09.463Z","response_time":67,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["beginner-tutorial-series","beginners","lammps","latex","livecoms","tutorials"],"created_at":"2025-01-02T08:29:49.037Z","updated_at":"2025-09-07T03:31:33.685Z","avatar_url":"https://github.com/lammpstutorials.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"\u003c!--\nWARNING: DO NOT MODIFY DIRECTLY THE README.md!\nThis README.md file was assembled using the sed command from the files listed in\n\"files.txt\". See the script in \"generateREADME.sh\". To modify the content of \nthe  README.md, modify the files listed in \"files.txt\", or add a new file to the\nlist in \"files.txt\".\n--\u003e\n\n\n\n\u003cdiv align=\"center\"\u003e\n\n# A Set of Tutorials for the LAMMPS Simulation Package\n\n[![DOI](https://zenodo.org/badge/314814105.svg)](https://zenodo.org/doi/10.5281/zenodo.14747799)\n[![License: CC BY 4.0](https://img.shields.io/badge/License-CC%20BY%204.0-blue.svg)](https://creativecommons.org/licenses/by/4.0/)\n[![PDF](https://img.shields.io/badge/PDF-lammps--tutorials.pdf-blue.svg)](lammps-tutorials.pdf)\n\n\u003c/div\u003e\n\n\u003cbr\u003e\n\nThis repository contains the article introducing a suite of tutorials designed\nto make learning LAMMPS more accessible for new users.\n\n## Tutorials\n\n- Tutorial 1: Lennard-Jones fluid\n- Tutorial 2: Pulling on a carbon nanotube\n- Tutorial 3: Polymer in water\n- Tutorial 4: Nanosheared electrolyte\n- Tutorial 5: Reactive silicon dioxide\n- Tutorial 6: Water adsorption in silica\n- Tutorial 7: Free energy calculation\n- Tutorial 8: Reactive Molecular Dynamics\n\n## Input files\n\nAll the input files from the tutorials can be found in the \n[**files/**](files/) folder. The Python scripts used to generate the plots \nare also provided.\n\nFor each tutorial, a `.manifest` file lists all the files required to \nfollow the tutorial. These files can be downloaded from the LAMMPS-GUI by \nselecting `Start Tutorial X`. The solutions to the tutorials are provided \nwithin the solution repository located in each tutorial folder.\n\n## PDF\n\nAccess here the last version of\n[lammps-tutorials.pdf](lammps-tutorials.pdf), or clone this repository\nand compile the `.tex` file yourself by typing in a terminal:\n```\nmake\n```\nThis will generate the `.pdf` version of the tutorial. Ensure you have LaTeX and the necessary dependencies installed on your system before attempting to compile.\n\n## Contributing\n\nWe welcome contributions to improve the tutorials. If you encounter any issues, have suggestions, or want to ask questions, please open an issue in this repository. You can also contribute by submitting a pull request to improve the tutorials or fix any bugs.\nYour feedback and contributions help make the tutorials more useful for everyone.\n\n## License\n\nThis project is licensed under the Creative Commons Attribution 4.0 International License. This license covers all the input [**files/**](files/) and tutorial content. For more details, see the [LICENSE](LICENSE) file.\n\n## Authors\n\n- [Simon Gravelle](https://github.com/simongravelle) (corr. author),\n  Université Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.\n- [Cecilia M. S. Alvares](https://github.com/cecimarques),\n  Department of Chemistry, University of Warwick, Coventry CV4 7AL, United Kingdom\n- [Jacob R. Gissinger](https://www.stevens.edu/profile/jgissing),\n  Stevens Institute of Technology, Hoboken, NJ 07030, USA.\n- [Axel Kohlmeyer](https://sites.google.com/site/akohlmey),\n  Institute for Computational Molecular Science, Temple University, Philadelphia,\n  PA 19122, USA.\n\n\n\n## Acknowledgements\n\n- Simon Gravelle acknowledges funding from the European Union's Horizon 2020\n  research and innovation programme under the Marie Skłodowska-Curie grant\n  agreement N°101065060.\n- Axel Kohlmeyer acknowledges financial support from Sandia National Laboratories\n  under POs 2149742 and 2407526.\n\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Flammpstutorials%2Flammpstutorials-article","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Flammpstutorials%2Flammpstutorials-article","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Flammpstutorials%2Flammpstutorials-article/lists"}