Science Score: 41.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
○codemeta.json file
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○.zenodo.json file
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✓DOI references
Found 8 DOI reference(s) in README -
✓Academic publication links
Links to: arxiv.org -
○Committers with academic emails
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (12.9%) to scientific vocabulary
Keywords
Repository
Code to perform chemical MPCD simulations
Basic Info
- Host: GitHub
- Owner: pdebuyl-lab
- License: bsd-3-clause
- Language: Fortran
- Default Branch: master
- Homepage: http://lab.pdebuyl.be/rmpcdmd/
- Size: 1.19 MB
Statistics
- Stars: 9
- Watchers: 5
- Forks: 2
- Open Issues: 0
- Releases: 0
Topics
Metadata Files
README.md
RMPCDMD: Reactive MultiParticle Collision Dynamics - Molecular Dynamics
Homepage: RMPCDMD (includes documentation)
License: BSD 3-clause, see LICENSE.
RMPCDMD is a collection of Fortran modules and programs for the mesoscopic modeling of chemically active fluids with embedded colloids.
Status
RMPCDMD is ready to use for chemically powered dimer nanomotor simulations.
A former version of this code, still available in the branches trs
and trs_two_prod, was used to obtain the results presented in P. de
Buyl and R. Kapral Nanoscale 5, 1337-1344
(2013) and P. de Buyl,
A. S. Mikhailov and R. Kapral EPL 103, 60009
(2013).
The current version has been totally refactored to remove the use of global variables, enable testing and enable OpenMP multithreaded operation.
Citation
RMPCDMD is presented in the article RMPCDMD: Simulations of colloids with coarse-grained hydrodynamics, chemical reactions and external fields, Journal of Open Research Software (JORS) 5, 3 (2017) doi - arXiv:1608.04904
Please cite this paper if you use RMPCDMD in a research work. A bibtex entry is provided in the CITATION file.
Requirements
RMPCDMD has the following requirements:
- A Fortran 2008 compiler (e.g. gfortran ≥ 4.7 with support for OpenMP ≥ 3.1)
- A Fortran enabled HDF5 installation
- CMake
- GNU Make
- git
See the documentation for installation instructions for Linux and OS X.
Contact
- The contact for RMPCDMD is the main author, Pierre de Buyl.
- Bug reports are welcome either by email or via GitHub issues.
Contributors
Peter Colberg: general programming improvements, OpenMP, debugging
Laurens Deprez: single colloid setup, gravity field and corresponding bounce-back, shake/rattle for dimers
Mu-Jie Huang: parts of the tutorial
Owner
- Name: Pierre de Buyl's lab
- Login: pdebuyl-lab
- Kind: organization
- Website: http://lab.pdebuyl.be/
- Repositories: 6
- Profile: https://github.com/pdebuyl-lab
Citation (CITATION)
When using RMPCDMD in a publication, please cite the following paper:
Pierre de Buyl, Mu-Jie Huang and Laurens Deprez. *RMPCDMD: Simulations of
colloids with coarse-grained hydrodynamics, chemical reactions and external
fields*, Journal of Open Research Software (JORS) 5, 3 (2017).
Bibtex entry:
~~~
@Article{rmpcdmd_2017,
journal = {Journal of Open Research Software},
year = {2017},
volume = {5},
pages = {3},
title = {{RMPCDMD: Simulations of colloids with coarse-grained hydrodynamics, chemical reactions and external fields}},
author = {Pierre de Buyl and Mu-Jie Huang and Laurens Deprez},
doi = {10.5334/jors.142}
}
~~~
GitHub Events
Total
- Watch event: 1
Last Year
- Watch event: 1
Committers
Last synced: about 2 years ago
Top Committers
| Name | Commits | |
|---|---|---|
| Pierre de Buyl | p****l@p****e | 791 |
| Laurens Deprez | l****z@s****e | 46 |
| Peter Colberg | p****r@c****g | 28 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 12 months ago
All Time
- Total issues: 3
- Total pull requests: 10
- Average time to close issues: about 2 months
- Average time to close pull requests: 7 days
- Total issue authors: 1
- Total pull request authors: 2
- Average comments per issue: 1.67
- Average comments per pull request: 0.9
- Merged pull requests: 9
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 0
- Pull requests: 0
- Average time to close issues: N/A
- Average time to close pull requests: N/A
- Issue authors: 0
- Pull request authors: 0
- Average comments per issue: 0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- petercolberg (3)
Pull Request Authors
- petercolberg (8)
- pdebuyl (2)