{"id":29625034,"url":"https://github.com/anjohan/mdtools","last_synced_at":"2025-07-21T06:07:09.375Z","repository":{"id":83955749,"uuid":"126333838","full_name":"anjohan/mdtools","owner":"anjohan","description":"Some useful tools for working with LAMMPS.","archived":false,"fork":false,"pushed_at":"2025-02-06T23:58:33.000Z","size":10,"stargazers_count":3,"open_issues_count":0,"forks_count":2,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-02-07T00:27:54.956Z","etag":null,"topics":["lammps","molecular-dynamics"],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/anjohan.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}},"created_at":"2018-03-22T12:44:59.000Z","updated_at":"2025-02-06T23:58:36.000Z","dependencies_parsed_at":"2025-02-07T00:34:30.327Z","dependency_job_id":null,"html_url":"https://github.com/anjohan/mdtools","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/anjohan/mdtools","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/anjohan%2Fmdtools","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/anjohan%2Fmdtools/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/anjohan%2Fmdtools/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/anjohan%2Fmdtools/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/anjohan","download_url":"https://codeload.github.com/anjohan/mdtools/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/anjohan%2Fmdtools/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":266248501,"owners_count":23899056,"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","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":["lammps","molecular-dynamics"],"created_at":"2025-07-21T06:07:08.632Z","updated_at":"2025-07-21T06:07:09.365Z","avatar_url":"https://github.com/anjohan.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# mdtools\n\nThis is a (growing) collection of tools I use when working with LAMMPs.\n\nSee also [lammps-binary-dump-reader](https://github.com/anjohan/lammps-binary-dump-reader).\n\n## logplotter.py\n\nThis serves two purposes:\n* A command line interface for quickly inspecting the results of a simulation (the simulation does not have to be finished!).\nBasic usage: `logplotter.py -i log.part1 log.part2 -x Time -y Temp`. Use `logplotter.py -h` to see more options.\n* A module containing the `find_data` function, which reads a log file and returns the contained data as a dictionary.\nBasic usage: `data = find_data(\"log.lammps\"); plt.plot(data[\"Step\"], data[\"Temp\"])`.\n\n### Installation\n```\npip install .\n```\n\n## sync.sh\n\nA janky bash script for continuous downloading of a remote data file until no further changes are detected.\n\nArguments:\n1. The remote file, e.g. `cluster:/work/username/dump.simulation`\n2. The local destination (optional, default `.`), e.g. `dump.18_12_24`\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fanjohan%2Fmdtools","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fanjohan%2Fmdtools","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fanjohan%2Fmdtools/lists"}