{"id":50688321,"url":"https://github.com/voltlabs-research/centrosymmetry-parameter","last_synced_at":"2026-06-09T01:00:57.572Z","repository":{"id":336792661,"uuid":"1150372926","full_name":"VoltLabs-Research/centrosymmetry-parameter","owner":"VoltLabs-Research","description":"Calculates the centrosymmetry parameter (CSP) for each atom to detect point defects, surfaces, and dislocation cores. Useful for visualizing crystal defects in FCC and BCC metals.","archived":false,"fork":false,"pushed_at":"2026-06-08T05:24:56.000Z","size":52,"stargazers_count":0,"open_issues_count":0,"forks_count":1,"subscribers_count":0,"default_branch":"main","last_synced_at":"2026-06-08T06:27:25.801Z","etag":null,"topics":["lammps","materials-science","molecular-dynamics","simulations"],"latest_commit_sha":null,"homepage":"https://docs.voltcloud.dev/docs/plugins/centrosymmetry-parameter","language":"C++","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/VoltLabs-Research.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,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2026-02-05T07:45:22.000Z","updated_at":"2026-06-08T04:52:41.000Z","dependencies_parsed_at":null,"dependency_job_id":null,"html_url":"https://github.com/VoltLabs-Research/centrosymmetry-parameter","commit_stats":null,"previous_names":["voltlabs-research/centrosymmetryparameter","voltlabs-research/centrosymmetry-parameter"],"tags_count":4,"template":false,"template_full_name":null,"purl":"pkg:github/VoltLabs-Research/centrosymmetry-parameter","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/VoltLabs-Research%2Fcentrosymmetry-parameter","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/VoltLabs-Research%2Fcentrosymmetry-parameter/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/VoltLabs-Research%2Fcentrosymmetry-parameter/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/VoltLabs-Research%2Fcentrosymmetry-parameter/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/VoltLabs-Research","download_url":"https://codeload.github.com/VoltLabs-Research/centrosymmetry-parameter/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/VoltLabs-Research%2Fcentrosymmetry-parameter/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":34086664,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-05-26T15:22:16.424Z","status":"online","status_checked_at":"2026-06-08T02:00:07.615Z","response_time":111,"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":["lammps","materials-science","molecular-dynamics","simulations"],"created_at":"2026-06-09T01:00:42.022Z","updated_at":"2026-06-09T01:00:57.567Z","avatar_url":"https://github.com/VoltLabs-Research.png","language":"C++","funding_links":[],"categories":[],"sub_categories":[],"readme":"# CentroSymmetryParameter\n\n`CentroSymmetryParameter` computes centrosymmetry values for each atom.\n\n## One-Command Install\n\n```bash\ncurl -sSL https://raw.githubusercontent.com/VoltLabs-Research/CoreToolkit/main/scripts/install-plugin.sh | bash -s -- CentroSymmetryParameter\n```\n\n## Build from source\n\nRequires [Conan 2.x](https://docs.conan.io/2/installation.html), CMake 3.20+, and a C++23 compiler (GCC 14+ or Clang 17+).\n\n### Prerequisites\n\nThe following Conan packages must be available in your local cache:\n\n- `coretoolkit/1.0.0` (from the `CoreToolkit` repository)\n\nFor each dependency, clone its repository and create the package:\n\n```bash\nconan create \u003cpath-to-dependency-repo\u003e --build=missing -o \"hwloc/*:shared=True\"\n```\n\n### Build\n\nFrom the root of this repository:\n\n```bash\nconan install . -of build --build=missing -o \"hwloc/*:shared=True\"\ncmake --preset conan-release\ncmake --build build/build/Release -j\n```\n\n### Run\n\n```bash\n./build/build/Release/centrosymmetry --help\n```\n\n### Package as Conan recipe\n\nTo make this plugin available as a Conan package for other projects:\n\n```bash\nconan create . --build=missing -o \"hwloc/*:shared=True\"\n```\n\n## CLI\n\nUsage:\n\n```bash\ncentrosymmetry \u003clammps_file\u003e [output_base] [options]\n```\n\n### Arguments\n\n| Argument | Required | Description | Default |\n| --- | --- | --- | --- |\n| `\u003clammps_file\u003e` | Yes | Input LAMMPS dump file. | |\n| `[output_base]` | No | Base path for output files. | derived from input |\n| `--num_neighbors \u003cint\u003e` | No | Even number of neighbors, up to `32`. | `12` |\n| `--mode \u003cconventional\\|matching\u003e` | No | CSP evaluation mode. | `conventional` |\n| `--threads \u003cint\u003e` | No | Maximum worker threads. | auto |\n| `--help` | No | Print CLI help. | |\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvoltlabs-research%2Fcentrosymmetry-parameter","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fvoltlabs-research%2Fcentrosymmetry-parameter","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvoltlabs-research%2Fcentrosymmetry-parameter/lists"}