{"id":18986201,"url":"https://github.com/simongravelle/lammps-input-files","last_synced_at":"2025-10-13T02:13:19.990Z","repository":{"id":37492336,"uuid":"314814105","full_name":"simongravelle/lammps-input-files","owner":"simongravelle","description":"LAMMPS inputs and data files","archived":false,"fork":false,"pushed_at":"2024-10-09T21:10:22.000Z","size":137307,"stargazers_count":256,"open_issues_count":0,"forks_count":103,"subscribers_count":6,"default_branch":"main","last_synced_at":"2025-05-25T20:06:58.770Z","etag":null,"topics":["all-atoms","atomic","graphene","inputs","ions","lammps","lammps-input","molecular","molecular-dynamics","octave","polymer","python","scripts","simulation","soft-matter","water"],"latest_commit_sha":null,"homepage":"https://lammpstutorials.github.io/","language":null,"has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/simongravelle.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"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}},"created_at":"2020-11-21T13:06:31.000Z","updated_at":"2025-05-23T06:54:02.000Z","dependencies_parsed_at":"2023-09-24T12:10:51.937Z","dependency_job_id":"21ede4bf-4660-437c-8295-2424bd373630","html_url":"https://github.com/simongravelle/lammps-input-files","commit_stats":{"total_commits":329,"total_committers":3,"mean_commits":"109.66666666666667","dds":"0.45592705167173253","last_synced_commit":"756c6d29209afc33d9070ea2ed0d227dbb4ff0cd"},"previous_names":[],"tags_count":1,"template":false,"template_full_name":null,"purl":"pkg:github/simongravelle/lammps-input-files","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simongravelle%2Flammps-input-files","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simongravelle%2Flammps-input-files/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simongravelle%2Flammps-input-files/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simongravelle%2Flammps-input-files/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/simongravelle","download_url":"https://codeload.github.com/simongravelle/lammps-input-files/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simongravelle%2Flammps-input-files/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":279014007,"owners_count":26085343,"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":"2025-10-13T02:00:06.723Z","response_time":61,"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":["all-atoms","atomic","graphene","inputs","ions","lammps","lammps-input","molecular","molecular-dynamics","octave","polymer","python","scripts","simulation","soft-matter","water"],"created_at":"2024-11-08T16:30:42.379Z","updated_at":"2025-10-13T02:13:19.960Z","avatar_url":"https://github.com/simongravelle.png","language":null,"funding_links":[],"categories":[],"sub_categories":[],"readme":"[![DOI](https://zenodo.org/badge/314814105.svg)](https://zenodo.org/doi/10.5281/zenodo.13340907)\n[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)\n\n# LAMMPS input files\n\nThis folder contains input files for the [LAMMPS](https://www.lammps.org/)\nmolecular simulation code. If you are new to LAMMPS, you can find tutorials \nfor beginners on [lammpstutorials.github.io](https://lammpstutorials.github.io/).\nFor most folders, there is a corresponding video\non [youtube](https://www.youtube.com/channel/UCLmK_9wpyLVpcP7BPgN6BIw). \n\n## How to cite\n\nYou can refer to the inputs in this directory using this\nDOI: [10.5281/zenodo.13340908](https://zenodo.org/doi/10.5281/zenodo.13340907).\n\n## Overview\n\n\u003cp float=\"left\"\u003e\n    \u003ca href=\"inputs/amorphous-carbon/\"\u003e\n        \u003cimg src=\"inputs/amorphous-carbon/amorphous-carbon.png\" width=\"24.5%\" /\u003e\n    \u003c/a\u003e\n    \u003ca href=\"inputs/water-ethanol/\"\u003e\n        \u003cimg src=\"inputs/water-ethanol/water-ethanol.png\" width=\"24.5%\" /\u003e\n    \u003c/a\u003e\n    \u003ca href=\"inputs/3D-lennard-jones-fluid/\"\u003e\n        \u003cimg src=\"inputs/3D-lennard-jones-fluid/LJ.png\" width=\"24.5%\" /\u003e\n    \u003c/a\u003e\n    \u003ca href=\"inputs/water-toluene-interface/\"\u003e\n        \u003cimg src=\"inputs/water-toluene-interface/water-toluene.png\" width=\"24.5%\" /\u003e\n    \u003c/a\u003e\n\u003c/p\u003e\n\n## List of inputs\n\n* [2D Lennard-Jones fluids](inputs/2D-lennard-jones-fluid/)\n* [3D Lennard-Jones fluids](inputs/3D-lennard-jones-fluid/)\n* [Generation of amorphous carbon structure using the liquid quench method](inputs/amorphous-carbon/)\n* [Silicalite SiO2 MFI structure](inputs/bulk-silicalite/)\n* [Melting a cube of gold metal](inputs/melting-gold/)\n* [Reactivity of ion hydronium](inputs/illustration-ion-hydronium/)\n* [Graphene oxide nanoparticle in interaction with water](inputs/GO-nanoparticle/)\n* [NaCl ions in water](inputs/nacl-solution/)\n* [NaCl crystal dissolution in water](inputs/salt-dissolution-water/)\n* [Solid NaCl under compression](inputs/solid-NaCl-under-compression/)\n* [Adsorption combined with diffusion create pink noise in nanopore](inputs/reversibly-adsorbing-particles/)\n* [Water-ethanol-Na-Cl mixture](inputs/water-ethanol/)\n* [Simulating an oil-water-vapor interface](inputs/water-toluene-interface/)\n* [Measure the surface tension of water](inputs/water-vapour/)\n* [Liquid mixture of PEG, water, and ethanol](inputs/liquid-mixture-PEG-water-ethanol/)\n* [Water-co2 mixture in graphene slit](inputs/water-co2-in-graphene-slit/)\n* [Water in graphene slit](inputs/water-in-graphene-slit/)\n\n## Find more LAMMPS inputs\n\nMore input files are shared in the:\n- [Inputs](https://github.com/lammpstutorials/lammpstutorials-inputs) repository of [lammpstutorials.github.io](https://lammpstutorials.github.io/),\n- [Files](https://github.com/lammpstutorials/lammpstutorials-article/tree/main/files) repository of the lammpstutorials' [article](https://lammpstutorials.github.io/),\n- [Repository](https://github.com/simongravelle/publication-data) associated with my publications,\n- [Example folder](https://github.com/lammps/lammps/tree/develop/examples) of LAMMPS.\n\n## Contact \n\nFeel free to contact me by [email](https://simongravelle.github.io/) if you have questions or requests.\n\n## Acknowledgments ##\n\nThis project has received funding from the European\nUnion's Horizon 2020 research and innovation programme\nunder the Marie Skłodowska-Curie grant agreement No 101065060.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsimongravelle%2Flammps-input-files","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fsimongravelle%2Flammps-input-files","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsimongravelle%2Flammps-input-files/lists"}