{"id":18078919,"url":"https://github.com/wojdyr/gosam","last_synced_at":"2025-04-12T12:05:59.107Z","repository":{"id":29197036,"uuid":"32728273","full_name":"wojdyr/gosam","owner":"wojdyr","description":"generator of simple atomistic models","archived":false,"fork":false,"pushed_at":"2018-09-13T15:11:47.000Z","size":286,"stargazers_count":27,"open_issues_count":0,"forks_count":10,"subscribers_count":7,"default_branch":"master","last_synced_at":"2025-03-26T06:43:44.442Z","etag":null,"topics":["atomistic-models","grain-boundary"],"latest_commit_sha":null,"homepage":"","language":"Python","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/wojdyr.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}},"created_at":"2015-03-23T11:32:18.000Z","updated_at":"2025-03-16T12:03:31.000Z","dependencies_parsed_at":"2022-08-17T19:41:01.155Z","dependency_job_id":null,"html_url":"https://github.com/wojdyr/gosam","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fgosam","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fgosam/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fgosam/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fgosam/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/wojdyr","download_url":"https://codeload.github.com/wojdyr/gosam/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248565060,"owners_count":21125415,"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":["atomistic-models","grain-boundary"],"created_at":"2024-10-31T12:16:42.726Z","updated_at":"2025-04-12T12:05:59.075Z","avatar_url":"https://github.com/wojdyr.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"gosam is a bunch of Python scripts:\n  * `bicryst.py` -- to generate atomistic model of grain boundary (bicrystal)\n    with a coincidence site lattice (CSL) boundary in the PBC box,\n  * `monocryst.py` -- to generate monocrystal in PBC box (atomistic model),\n  * `graingen.py` -- create crystalline grains of given shape, with vacancies,\n    thermal vibrations, etc.\n  * `mdfile.py` -- convert between several file formats (AtomEye cfg,\n    VASP POSCAR, LAMMPS, DL_POLY, XMOL XYZ).\n  * `csl.py` -- to list coincident site lattice (CSL) grain boundaries\n    in cubic crystals\n\n**Prerequisites:** Python 2 and [numpy](http://numpy.scipy.org/).\n`graingen.py` additionally requires the [qhull](http://www.qhull.org/) program.\n\n**Installation:**\ndownload, unpack if you've downloaded zip file, and use from command line.\n\n**Usage**:\nSee [documentation in the wiki](https://github.com/wojdyr/gosam/wiki)\nand feel free to e-mail me with questions.  Or open Github issue.\nAlso, most of the programs print basic usage instructions when invoked\nwithout parameters.\n\n**License**: GPLv2+ (I'll consider changing it to a more liberal license\nif there is a good reason)\n\n**Citing**:\nyou may cite\n[Marcin Wojdyr et al 2010 Modelling Simul. Mater. Sci. Eng. 18 075009](\nhttp://dx.doi.org/10.1088/0965-0393/18/7/075009)\n([preprint](http://wojdyr.github.io/Wojdyr-tilt_GB_in_SiC-MSMSE-2010.pdf)),\nespecially if you use `bicryst.py`.\n\n**See also:** [debyer](https://github.com/wojdyr/debyer) - a bunch of tools\ncoded in C and C++\n\ncontact: wojdyr@gmail.com\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fwojdyr%2Fgosam","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fwojdyr%2Fgosam","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fwojdyr%2Fgosam/lists"}