EDP
EDP: a program for projecting electron densities from VASP onto planes - Published in JOSS (2023)
Science Score: 98.0%
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
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 7 DOI reference(s) in README and JOSS metadata -
✓Academic publication links
Links to: joss.theoj.org, zenodo.org -
○Committers with academic emails
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○Institutional organization owner
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✓JOSS paper metadata
Published in Journal of Open Source Software
Keywords
Keywords from Contributors
Repository
Electron Density Plotter
Basic Info
- Host: GitHub
- Owner: ifilot
- License: gpl-3.0
- Language: C++
- Default Branch: master
- Homepage: https://ifilot.github.io/edp/
- Size: 30.5 MB
Statistics
- Stars: 38
- Watchers: 2
- Forks: 4
- Open Issues: 4
- Releases: 1
Topics
Metadata Files
README.md
EDP: a program for projecting electron densities from VASP onto planes
- Detailed documentation can be found at https://ifilot.github.io/edp/.
- See the contributing guide for detailed instructions how to make contributions.
- Bugs and feature requests are ideally submitted via the gitlab issue tracker.
- The development team can also be reached by email via i.a.w.filot@tue.nl.
If you make use of this program, please use the following to cite it:
bibtex
@article{Filot2023,
doi = {10.21105/joss.05417},
url = {https://doi.org/10.21105/joss.05417},
year = {2023},
publisher = {The Open Journal},
volume = {8},
number = {87},
pages = {5417},
author = {I.a.w. Filot},
title = {EDP: a program for projecting electron densities from VASP onto planes},
journal = {Journal of Open Source Software}
}
Purpose
EDP is a C++ program designed to project the electron density as stored in a CHGCAR or PARCHG file (calculated in VASP, onto a plane.
With EDP, users can effortlessly define the projection plane based on atomic positions while also having the option for detailed customization of the plane's position and direction. Its versatility and ease of use make EDP a handy tool for researchers in the field of materials science.
Features
Easy command line instructions
By referring to the atomic coordinates, one can easily define the projection plane and produce nice and clear images.
bash
edp -i PARCHG_BENZENE_07 -o benzene_xy.png -p 1 -v 1,0,0 -w 0,1,0 -s 25 -b -5,0 -l
Large variety of color schemes
EDP supports 16 different color schemes.
Owner
- Name: Ivo Filot
- Login: ifilot
- Kind: user
- Location: Eindhoven, The Netherlands
- Company: Eindhoven University of Technology
- Website: http://www.ivofilot.nl
- Repositories: 16
- Profile: https://github.com/ifilot
Ivo Filot is a theoretical chemist originating from the Netherlands. His research involves the elucidation of complex chemokinetic networks.
JOSS Publication
EDP: a program for projecting electron densities from VASP onto planes
Authors
Inorganic Materials and Catalysis, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology
Editor
Rachel Kurchin
Tags
Electron density Charge density VASP ProjectionCitation (CITATION.cff)
cff-version: "1.2.0"
authors:
- family-names: Filot
given-names: I. A. W.
orcid: "https://orcid.org/0000-0003-1403-8379"
contact:
- family-names: Filot
given-names: I. A. W.
orcid: "https://orcid.org/0000-0003-1403-8379"
doi: 10.5281/zenodo.8104498
message: If you use this software, please cite our article in the
Journal of Open Source Software.
preferred-citation:
authors:
- family-names: Filot
given-names: I. A. W.
orcid: "https://orcid.org/0000-0003-1403-8379"
date-published: 2023-07-06
doi: 10.21105/joss.05417
issn: 2475-9066
issue: 87
journal: Journal of Open Source Software
publisher:
name: Open Journals
start: 5417
title: "EDP: a program for projecting electron densities from VASP
onto planes"
type: article
url: "https://joss.theoj.org/papers/10.21105/joss.05417"
volume: 8
title: "EDP: a program for projecting electron densities from VASP onto
planes"
GitHub Events
Total
- Issues event: 2
- Watch event: 4
- Delete event: 1
- Push event: 2
Last Year
- Issues event: 2
- Watch event: 4
- Delete event: 1
- Push event: 2
Committers
Last synced: 5 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| ifilot | i****o@i****l | 92 |
| ifilot | i****o@z****l | 38 |
| dependabot[bot] | 4****] | 2 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 4 months ago
All Time
- Total issues: 10
- Total pull requests: 18
- Average time to close issues: 15 days
- Average time to close pull requests: about 6 hours
- Total issue authors: 7
- Total pull request authors: 2
- Average comments per issue: 1.9
- Average comments per pull request: 0.0
- Merged pull requests: 18
- Bot issues: 0
- Bot pull requests: 2
Past Year
- Issues: 2
- Pull requests: 1
- Average time to close issues: N/A
- Average time to close pull requests: 3 minutes
- Issue authors: 1
- Pull request authors: 1
- Average comments per issue: 0.0
- Average comments per pull request: 0.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 1
Top Authors
Issue Authors
- KylinGuo (2)
- mlorke (2)
- b-zijlstra (2)
- N0ema (1)
- filipejunqueira (1)
- ifilot (1)
- mgdotdev (1)
Pull Request Authors
- ifilot (16)
- dependabot[bot] (3)