{"id":21156379,"url":"https://github.com/vitroid/pygas","last_synced_at":"2025-03-14T15:21:29.360Z","repository":{"id":141862227,"uuid":"180935821","full_name":"vitroid/PyGas","owner":"vitroid","description":"Molecular Dynamics of Gases","archived":false,"fork":false,"pushed_at":"2022-10-25T12:29:26.000Z","size":62,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":3,"default_branch":"master","last_synced_at":"2025-01-21T08:44:58.260Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"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/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":"2019-04-12T05:22:11.000Z","updated_at":"2022-04-07T09:55:30.000Z","dependencies_parsed_at":"2023-07-13T13:01:05.585Z","dependency_job_id":null,"html_url":"https://github.com/vitroid/PyGas","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/vitroid%2FPyGas","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vitroid%2FPyGas/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vitroid%2FPyGas/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vitroid%2FPyGas/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/vitroid","download_url":"https://codeload.github.com/vitroid/PyGas/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":243597804,"owners_count":20316847,"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":"2024-11-20T11:43:42.015Z","updated_at":"2025-03-14T15:21:29.339Z","avatar_url":"https://github.com/vitroid.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# PyGas\n\nPyGas is a collection of molecular dynamics simulation codes for demonstration written in Python.\n\n## Environment\n\n[Anaconda](https://www.anaconda.com) is recommended.\n\n## Requirement\n\nInstall the following packages in advance. They are available via `pip` package manager.\n\n* Numpy\n* pygame\n\n`ffmpeg` is required to record the video.\n\n## Files\n\n### `harddisk.py`: Hard disks or hard spheres.\n\n    pygame 2.1.2 (SDL 2.0.18, Python 3.9.10)\n    Hello from the pygame community. https://www.pygame.org/contribute.html\n    usage: harddisk.py [-h] [--version] [--atoms 32] [--record 32] [--dt 0.1]\n                       [--temp 1.0] [--cell 10,10] [--hist] [--flight]\n                       [basename]\n    \n    Molecular dynamics of hard spheres. (version 0.1)\n    \n    positional arguments:\n      basename              Basename of the output file.\n    \n    optional arguments:\n      -h, --help            show this help message and exit\n      --version, -V         show program's version number and exit\n      --atoms 32, -a 32     Specify number of atoms.\n      --record 32, -r 32    Record the first x frames in a mp4 file.\n      --dt 0.1, -d 0.1      Step interval.\n      --temp 1.0, -t 1.0    Specify the initial temperature in kT.\n      --cell 10,10, -c 10,10\n                            Specify the cell shape.\n      --hist, -H            Show velocity histograms.\n      --flight, -f          Output time-of-flight infos.\n\n\n### `LennardJones.py`: Lennard-Jones gas.\n\n    pygame 2.1.2 (SDL 2.0.18, Python 3.9.10)\n    Hello from the pygame community. https://www.pygame.org/contribute.html\n    usage: LennardJones.py [-h] [--version] [--atoms 32] [--vel 1] [--dt 0.1]\n                           [--temp 1.0] [--cell 10,10] [--hist] [--debug]\n                           [--quiet]\n                           [basename]\n    \n    Molecular dynamics of Lennard-Jones gas. (version 0.1)\n    \n    positional arguments:\n      basename              Basename of the output file.\n    \n    optional arguments:\n      -h, --help            show this help message and exit\n      --version, -V         show program's version number and exit\n      --atoms 32, -a 32     Specify number of atoms.\n      --vel 1, -v 1         Output velocity list every i steps.\n      --dt 0.1, -d 0.1      Step interval.\n      --temp 1.0, -t 1.0    Specify the initial temperature in kT.\n      --cell 10,10, -c 10,10\n                            Specify the cell shape.\n      --hist, -H            Show velocity histograms.\n      --debug, -D           Show debug messages.\n      --quiet, -Q           Suppress messages.\n\n\n----\n\n# PyGas\n\nPyGasはlPythonで書かれた気体分子運動のデモ用の分子動力学プログラムです。\n\n## 環境\n\n[Anaconda](https://www.anaconda.com)のPython環境を推奨します。\n\n## 必要なもの\n\n以下のパッケージをあらかじめインストールして下さい。これらは`pip`でインストールできます。\n\n* Numpy\n* pygame\n\n## ファイル\n\n### `harddisk.py`: 剛体円盤、剛体球のシミュレーション。\n\n    pygame 2.1.2 (SDL 2.0.18, Python 3.9.10)\n    Hello from the pygame community. https://www.pygame.org/contribute.html\n    usage: harddisk.py [-h] [--version] [--atoms 32] [--record 32] [--dt 0.1]\n                       [--temp 1.0] [--cell 10,10] [--hist] [--flight]\n                       [basename]\n    \n    Molecular dynamics of hard spheres. (version 0.1)\n    \n    positional arguments:\n      basename              Basename of the output file.\n    \n    optional arguments:\n      -h, --help            show this help message and exit\n      --version, -V         show program's version number and exit\n      --atoms 32, -a 32     Specify number of atoms.\n      --record 32, -r 32    Record the first x frames in a mp4 file.\n      --dt 0.1, -d 0.1      Step interval.\n      --temp 1.0, -t 1.0    Specify the initial temperature in kT.\n      --cell 10,10, -c 10,10\n                            Specify the cell shape.\n      --hist, -H            Show velocity histograms.\n      --flight, -f          Output time-of-flight infos.\n\n\n### `LennardJones.py`: Lennard-Jonesガスのシミュレーション。\n\n    pygame 2.1.2 (SDL 2.0.18, Python 3.9.10)\n    Hello from the pygame community. https://www.pygame.org/contribute.html\n    usage: LennardJones.py [-h] [--version] [--atoms 32] [--vel 1] [--dt 0.1]\n                           [--temp 1.0] [--cell 10,10] [--hist] [--debug]\n                           [--quiet]\n                           [basename]\n    \n    Molecular dynamics of Lennard-Jones gas. (version 0.1)\n    \n    positional arguments:\n      basename              Basename of the output file.\n    \n    optional arguments:\n      -h, --help            show this help message and exit\n      --version, -V         show program's version number and exit\n      --atoms 32, -a 32     Specify number of atoms.\n      --vel 1, -v 1         Output velocity list every i steps.\n      --dt 0.1, -d 0.1      Step interval.\n      --temp 1.0, -t 1.0    Specify the initial temperature in kT.\n      --cell 10,10, -c 10,10\n                            Specify the cell shape.\n      --hist, -H            Show velocity histograms.\n      --debug, -D           Show debug messages.\n      --quiet, -Q           Suppress messages.\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvitroid%2Fpygas","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fvitroid%2Fpygas","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvitroid%2Fpygas/lists"}