simple-dftd3

ase computational-chemistry dispersion-correction pyscf qcschema quantum-chemistry

Score: 16.77512112747201

Last synced: about 23 hours ago
JSON representation

Repository metadata:

Library first implementation of the D3 dispersion correction

Host: GitHub
URL: https://github.com/dftd3/simple-dftd3
Owner: dftd3
License: lgpl-3.0
Created: 2019-11-09T11:21:43.000Z (almost 7 years ago)
Default Branch: main
Last Pushed: 2026-08-03T12:05:46.000Z (11 days ago)
Last Synced: 2026-08-07T05:33:09.827Z (7 days ago)
Topics: ase, computational-chemistry, dispersion-correction, pyscf, qcschema, quantum-chemistry
Language: Fortran
Homepage: https://dftd3.readthedocs.io
Size: 2.23 MB
Stars: 87
Watchers: 2
Forks: 37
Open Issues: 16
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: COPYING

Owner metadata:

Name: DFT-D3
Login: dftd3
Email:
Kind: organization
Description: Consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D)
Website: https://dftd3.readthedocs.io
Location:
Twitter:
Company:
Icon url: https://avatars.githubusercontent.com/u/104521936?v=4
Repositories: 2
Last Synced at: 2023-03-06T09:47:33.370Z
Profile URL: https://github.com/dftd3

GitHub Events

Total

Create event: 7
Delete event: 7
Fork event: 6
Issue comment event: 54
Issues event: 33
Pull request event: 62
Pull request review comment event: 10
Pull request review event: 22
Push event: 108
Release event: 2
Watch event: 25
Total: 336

Last Year

Create event: 3
Delete event: 5
Issue comment event: 16
Issues event: 9
Pull request event: 6
Pull request review comment event: 4
Pull request review event: 4
Push event: 56
Watch event: 9
Total: 112

Committers metadata

Last synced: 5 days ago

Total Commits: 176
Total Committers: 22
Avg Commits per committer: 8.0
Development Distribution Score (DDS): 0.216

Commits in past year: 40
Committers in past year: 7
Avg Commits per committer in past year: 5.714
Development Distribution Score (DDS) in past year: 0.275

Name	Email	Commits
Sebastian Ehlert	2****k	138
Copilot	1****t	6
foxtran	3****n	6
Marvin Friede	5****e	5
James A. Green	5****n	2
Lori A. Burns	l**s@g**m	2
Thomas Froitzheim	9****m	2
Aaron Kaplan	3****a	1
Alex Izvorski	a**i@g**m	1
Eisuke Kawashima	e****m	1
Federico N. Pedron	f**e@g**m	1
Jonathon Vandezande	j**e@g**m	1
Kjell Jorner	3****r	1
LGTM Migrator	l****r	1
Lukas Wittmann	w**n@t**e	1
Qiming Sun	o**n@g**m	1
Robert Cohn	r**2@g**m	1
Shirong_Wang	s**0@f**n	1
Thijs Vogels	t**s@m**m	1
Wanja Schulze	w****u	1
ajz34	a**4@o**m	1
ftran1	9****1	1

Issue and Pull Request metadata

Last synced: 3 days ago

Total issues: 95
Total pull requests: 157
Average time to close issues: 3 months
Average time to close pull requests: 28 days
Total issue authors: 30
Total pull request authors: 22
Average comments per issue: 1.45
Average comments per pull request: 1.05
Merged pull request: 138
Bot issues: 0
Bot pull requests: 1

Past year issues: 23
Past year pull requests: 35
Past year average time to close issues: about 1 month
Past year average time to close pull requests: 7 days
Past year issue authors: 7
Past year pull request authors: 6
Past year average comments per issue: 1.3
Past year average comments per pull request: 1.29
Past year merged pull request: 29
Past year bot issues: 0
Past year bot pull requests: 0

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/dftd3/simple-dftd3

Top Issue Authors

awvwgk (46)
foxtran (9)
Andrew-S-Rosen (5)
AlexBuccheri (5)
hebrewsnabla (2)
tgmaxson (2)
shahmoradi (2)
loriab (2)
wxj6000 (1)
jjhjm17 (1)
samfux84 (1)
jeanwsr (1)
miroi (1)
wangenau (1)
jme52 (1)

Top Pull Request Authors

awvwgk (95)
foxtran (15)
marvinfriede (8)
Copilot (6)
thfroitzheim (4)
jamesagreen (4)
loriab (3)
fedepedron (2)
tvogels (2)
wangenau (2)
dmejiar (2)
aizvorski (2)
jevandezande (2)
sunqm (2)
ftran1 (1)

Top Issue Labels

parameters (17)
bug (12)
enhancement (10)
documentation (9)
python (6)
help wanted (1)
question (1)

Top Pull Request Labels

documentation (20)
python (10)
bug (8)
parameters (7)
enhancement (2)

Package metadata

Total packages: 14
Total downloads:
- pypi: 8,503 last-month
Total dependent packages: 6 (may contain duplicates)
Total dependent repositories: 1 (may contain duplicates)
Total versions: 31
Total maintainers: 3

pypi.org: dftd3

Python API of the DFT-D3 project

Homepage:
Documentation: https://dftd3.readthedocs.io/
Licenses: LGPL-3.0-or-later
Latest release: 1.5.0 (published 5 days ago)
Last Synced: 2026-08-12T01:32:28.834Z (2 days ago)
Versions: 12
Dependent Packages: 3
Dependent Repositories: 1
Downloads: 8,503 Last month
Rankings:
- Dependent packages count: 2.359%
- Forks count: 9.33%
- Downloads: 9.431%
- Stargazers count: 10.665%
- Average: 10.68%
- Dependent repos count: 21.615%
Maintainers (2)
- awvwgk
- marvinfriede