{"id":29950725,"url":"https://github.com/mlund/cppm","last_synced_at":"2025-08-03T11:19:04.660Z","repository":{"id":151376823,"uuid":"75648741","full_name":"mlund/CPPM","owner":"mlund","description":"Charged Patchy Particle Models","archived":false,"fork":false,"pushed_at":"2023-12-14T21:17:10.000Z","size":2799,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":3,"default_branch":"master","last_synced_at":"2023-12-14T22:54:58.268Z","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":"cc0-1.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/mlund.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}},"created_at":"2016-12-05T17:16:36.000Z","updated_at":"2023-12-14T21:06:56.000Z","dependencies_parsed_at":"2023-12-14T23:05:08.327Z","dependency_job_id":null,"html_url":"https://github.com/mlund/CPPM","commit_stats":null,"previous_names":[],"tags_count":3,"template":null,"template_full_name":null,"purl":"pkg:github/mlund/CPPM","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FCPPM","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FCPPM/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FCPPM/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FCPPM/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/mlund","download_url":"https://codeload.github.com/mlund/CPPM/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FCPPM/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":268531925,"owners_count":24265257,"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","status":"online","status_checked_at":"2025-08-03T02:00:12.545Z","response_time":2577,"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":[],"created_at":"2025-08-03T11:18:59.444Z","updated_at":"2025-08-03T11:19:04.651Z","avatar_url":"https://github.com/mlund.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# Steering Patchy Particles using Multivalent Electrolytes\n\n_Alexei Abrikossov, Björn Stenqvist, Mikael Lund, 2017._\n\n[DOI:10.1039/C7SM00470B](http://dx.doi.org/10.1039/C7SM00470B).\n\nThis repository contain a [Jupyter](http://jupyter.org) Notebook for studying charged, patchy particles\nin electrolyte solution using Metropolis Monte Carlo simulations. The layout is as follows:\n\n- `montecarlo.ipynb` - Jupyter Notebook for compiling, running, and plotting all simulation data\n- `environment.yml` - Environment file for setting up dependencies for Anaconda\n- `mc/` - Directory with Monte Carlo data and C++ code\n- `md/` - Directory with Notebook for MD simulations using OpenMM (experimental!)\n\nTo open this Notebook, install python via [(Mini)conda](https://www.continuum.io/downloads) and make sure all required packages are loaded\nby issuing the following terminal commands,\n\n    conda env create -f environment.yml\n    source activate cppm\n    jupyter-notebook montecarlo.ipynb\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmlund%2Fcppm","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmlund%2Fcppm","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmlund%2Fcppm/lists"}