{"id":19545852,"url":"https://github.com/pdebuyl-lab/rmpcdmd","last_synced_at":"2026-03-01T09:33:47.297Z","repository":{"id":9868067,"uuid":"11867010","full_name":"pdebuyl-lab/RMPCDMD","owner":"pdebuyl-lab","description":"Code to perform chemical MPCD simulations","archived":false,"fork":false,"pushed_at":"2020-02-13T10:50:54.000Z","size":1247,"stargazers_count":9,"open_issues_count":0,"forks_count":2,"subscribers_count":5,"default_branch":"master","last_synced_at":"2025-01-08T19:40:50.319Z","etag":null,"topics":["colloids","fortran","hydrodynamics","nanomotor","openmp","simulation"],"latest_commit_sha":null,"homepage":"http://lab.pdebuyl.be/rmpcdmd/","language":"Fortran","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/pdebuyl-lab.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":"CITATION","codeowners":null,"security":null,"support":null}},"created_at":"2013-08-03T17:42:31.000Z","updated_at":"2024-05-17T18:24:29.000Z","dependencies_parsed_at":"2022-08-07T05:15:12.059Z","dependency_job_id":null,"html_url":"https://github.com/pdebuyl-lab/RMPCDMD","commit_stats":null,"previous_names":[],"tags_count":3,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pdebuyl-lab%2FRMPCDMD","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pdebuyl-lab%2FRMPCDMD/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pdebuyl-lab%2FRMPCDMD/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pdebuyl-lab%2FRMPCDMD/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/pdebuyl-lab","download_url":"https://codeload.github.com/pdebuyl-lab/RMPCDMD/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":240801040,"owners_count":19859727,"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":["colloids","fortran","hydrodynamics","nanomotor","openmp","simulation"],"created_at":"2024-11-11T03:41:48.171Z","updated_at":"2026-03-01T09:33:47.261Z","avatar_url":"https://github.com/pdebuyl-lab.png","language":"Fortran","funding_links":[],"categories":[],"sub_categories":[],"readme":"RMPCDMD: Reactive MultiParticle Collision Dynamics - Molecular Dynamics\n=======================================================================\n\n**Homepage:** [RMPCDMD](http://lab.pdebuyl.be/rmpcdmd/) (includes documentation)  \n**License:** BSD 3-clause, see [LICENSE](LICENSE).\n\n[![Build Status](https://travis-ci.org/pdebuyl-lab/RMPCDMD.svg?branch=master)](https://travis-ci.org/pdebuyl-lab/RMPCDMD)\n\nRMPCDMD is a collection of Fortran modules and programs for the\nmesoscopic modeling of chemically active fluids with embedded colloids.\n\n## Status\n\nRMPCDMD is ready to use for chemically powered dimer nanomotor simulations.\nA former version of this code, still available in the branches `trs`\nand `trs_two_prod`, was used to obtain the results presented in P. de\nBuyl and R. Kapral [Nanoscale 5, 1337-1344\n(2013)](http://dx.doi.org/10.1039/C2NR33711H) and P. de Buyl,\nA. S. Mikhailov and R. Kapral [EPL 103, 60009\n(2013)](http://dx.doi.org/10.1209/0295-5075/103/60009).\n\nThe current version has been totally refactored to remove the use of global variables,\nenable testing and enable OpenMP multithreaded operation.\n\n## Citation\n\nRMPCDMD is presented in the article *RMPCDMD: Simulations of colloids with\ncoarse-grained hydrodynamics, chemical reactions and external fields*, Journal\nof Open Research Software (JORS) **5**, 3 (2017)\n[doi](http://doi.org/10.5334/jors.142) -\n[arXiv:1608.04904](https://arxiv.org/abs/1608.04904)\n\nPlease cite this paper if you use RMPCDMD in a research work. A bibtex entry is provided in\nthe [CITATION](CITATION) file.\n\n## Requirements\n\nRMPCDMD has the following requirements:\n\n- A Fortran 2008 compiler (e.g. [gfortran](https://gcc.gnu.org/wiki/GFortran) ≥ 4.7 with support for [OpenMP](https://gcc.gnu.org/wiki/openmp) ≥ 3.1)\n- A Fortran enabled [HDF5](https://www.hdfgroup.org/HDF5/) installation\n- [CMake](http://cmake.org/)\n- [GNU Make](https://www.gnu.org/software/make/)\n- [git](http://git-scm.com/)\n\nSee the documentation for\n[installation instructions](http://lab.pdebuyl.be/rmpcdmd/install.html) for Linux and OS X.\n\n## Contact\n\n- The contact for RMPCDMD is the main author, [Pierre de Buyl](http://pdebuyl.be/).\n- Bug reports are welcome either by email or via\n  [GitHub issues](https://github.com/pdebuyl-lab/RMPCDMD/issues).\n\n## Contributors\n\nPeter Colberg: general programming improvements, OpenMP, debugging  \nLaurens Deprez: single colloid setup, gravity field and corresponding bounce-back, shake/rattle for dimers  \nMu-Jie Huang: parts of the tutorial\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpdebuyl-lab%2Frmpcdmd","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fpdebuyl-lab%2Frmpcdmd","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpdebuyl-lab%2Frmpcdmd/lists"}