{"id":21156330,"url":"https://github.com/vitroid/pairlist","last_synced_at":"2026-03-05T22:08:27.072Z","repository":{"id":57450297,"uuid":"76786045","full_name":"vitroid/PairList","owner":"vitroid","description":"Make the pair list from the atomic positions.","archived":false,"fork":false,"pushed_at":"2025-02-08T10:46:44.000Z","size":330,"stargazers_count":1,"open_issues_count":1,"forks_count":0,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-04-12T22:39:48.095Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/vitroid.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":"2016-12-18T13:55:31.000Z","updated_at":"2025-02-08T10:46:47.000Z","dependencies_parsed_at":"2023-01-25T13:16:08.606Z","dependency_job_id":"17cedc4b-8ad0-456c-8f9a-ad999215a3c4","html_url":"https://github.com/vitroid/PairList","commit_stats":{"total_commits":55,"total_committers":1,"mean_commits":55.0,"dds":0.0,"last_synced_commit":"d60e216b7982bbafab37aa0a2e8977ae2d320354"},"previous_names":[],"tags_count":3,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vitroid%2FPairList","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vitroid%2FPairList/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vitroid%2FPairList/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vitroid%2FPairList/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/vitroid","download_url":"https://codeload.github.com/vitroid/PairList/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248713903,"owners_count":21149800,"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":[],"created_at":"2024-11-20T11:42:41.725Z","updated_at":"2026-03-05T22:08:27.065Z","avatar_url":"https://github.com/vitroid.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# pairlist\n\nGenerates the pair list of atoms that are closer to each other than the\ngiven threshold under the periodic boundary conditions.\n\nversion 0.6.2\n\n## Usage\n\nSee `pairlist.h` for the function definition and `pairlist-test.c` for usage.\n\nPython API is served in pairlist.py. The API document is [here](https://vitroid.github.io/PairList/pairlist.html).\n\nSee [benchmark.ipynb](https://colab.research.google.com/github/vitroid/PairList/blob/master/benchmark.ipynb) for the comparison with other methods.\n\u003ca href=\"https://colab.research.google.com/github/vitroid/PairList/blob/master/benchmark.ipynb\" target=\"_parent\"\u003e\u003cimg src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/\u003e\u003c/a\u003e\n![benchmark](https://github.com/vitroid/PairList/raw/master/benchmark/benchmark.png)\n\n## Algorithm\n\nA simple cell division algorithm is implemented.\n\n## Demo\n\nIt requires [GenIce](https://github.com/vitroid/GenIce) to make the test data.\n\n```shell\n% make test\n```\n\n## Requirements\n\n* python\n* numpy\n\n\n## Bugs\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvitroid%2Fpairlist","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fvitroid%2Fpairlist","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvitroid%2Fpairlist/lists"}