https://github.com/patonlab/goodvibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
https://github.com/patonlab/goodvibes

Keywords

compchem dispersion gaussian quasi-harmonic rrho temperature thermochemistry vibrational-entropies

Last synced: 11 months ago
JSON representation

Acceptance Criteria

Revelant topics? true
External users? true
Open source license? true
Active? true
Fork? false

Repository metadata

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

Host: GitHub
URL: https://github.com/patonlab/goodvibes
Owner: patonlab
License: mit
Created: 2016-03-27T21:28:16.000Z (about 9 years ago)
Default Branch: master
Last Pushed: 2024-01-08T22:09:09.000Z (over 1 year ago)
Last Synced: 2024-04-14T10:49:48.215Z (about 1 year ago)
Topics: compchem, dispersion, gaussian, quasi-harmonic, rrho, temperature, thermochemistry, vibrational-entropies
Language: Python
Homepage: http://www.patonlab.colostate.edu
Size: 35.9 MB
Stars: 124
Watchers: 13
Forks: 49
Open Issues: 11
Releases: 0
Metadata Files:
- Readme: README.md
- Changelog: changelog.txt
- License: LICENSE.txt

Owner metadata

Name: Paton Lab | Colorado State University
Login: patonlab
Email: [email protected]
Kind: organization
Description: Paton Research Group at Colorado State
Website: patonlab.colostate.edu
Location: United States of America
Twitter: bobbypaton
Company:
Icon url: https://avatars.githubusercontent.com/u/88251982?v=4
Repositories: 11
Last ynced at: 2023-03-04T19:00:51.523Z
Profile URL: https://github.com/patonlab

GitHub Events

Total

Create event: 10
Release event: 3
Issues event: 36
Watch event: 56
Delete event: 5
Member event: 1
Issue comment event: 30
Push event: 56
Pull request review event: 1
Pull request event: 16
Fork event: 21

Last Year

Fork event: 8
Issue comment event: 8
Issues event: 14
Pull request event: 5
Push event: 5
Watch event: 19

Committers metadata

Last synced: 12 months ago

Total Commits: 416
Total Committers: 24
Avg Commits per committer: 17.333
Development Distribution Score (DDS): 0.656

Commits in past year: 4
Committers in past year: 1
Avg Commits per committer in past year: 4.0
Development Distribution Score (DDS) in past year: 0.0

Name	Email	Commits
luchini18	G**i@c**u	143
Robert Paton	b****n	100
Robert Paton	r**n@g**m	36
jvalegre	j**9@h**m	33
luchini18	g**i@c**u	22
Robert Paton	r**n@c**u	22
Robert Paton	r**n@R**l	14
Jaime RGP	j**e@g**m	12
Eric Berquist	e**t@g**m	6
Juanvi Alegre-Requena	3****e	5
Yanfei Guan	y**i@c**u	4
JingTao Chen	n**t@o**m	3
IFunes	i**s@h**m	2
Margo Ju	j**i@g**m	2
Robert Paton	r**n@R**l	2
Robert Paton	r**n@R**l	2
Andrew S. Rosen	r**n@u**u	1
Florian Roessler	r**d@g**m	1
Heather Mayes	h**s@h**m	1
JingTao Chen	c**0@g**m	1
Shree Sowndarya Santhanalakkshmi Vejaykummar	s**4@g**m	1
rpaton rpaton	r**n@cu@l**u	1
rpaton rpaton	r**n@cu@l**u	1
sibo	s**r@g**m	1

Committer domains:

Issue and Pull Request metadata

Last synced: 12 months ago

Total issues: 54
Total pull requests: 22
Average time to close issues: 4 months
Average time to close pull requests: about 1 month
Total issue authors: 39
Total pull request authors: 14
Average comments per issue: 1.31
Average comments per pull request: 0.86
Merged pull request: 18
Bot issues: 0
Bot pull requests: 0

Past year issues: 9
Past year pull requests: 2
Past year average time to close issues: about 1 month
Past year average time to close pull requests: 4 minutes
Past year issue authors: 8
Past year pull request authors: 2
Past year average comments per issue: 0.67
Past year average comments per pull request: 0.5
Past year merged pull request: 0
Past year bot issues: 0
Past year bot pull requests: 0

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/patonlab/goodvibes

Top Issue Authors

jvalegre (9)
bobbypaton (3)
xinglong-zhang (2)
andre-cloud (2)
xiki-tempula (2)
NKUCodingCat (2)
DSVA (2)
adpnm (1)
luchini18 (1)
medvedev-m (1)
NikChekshin (1)
nileshjchoudhary (1)
npe1011 (1)
pascalfriederich (1)
RaphaelRobidas (1)

Top Pull Request Authors

luchini18 (3)
jvalegre (3)
Margoju (2)
jaimergp (2)
bobbypaton (2)
IFunes (2)
attiliocn (1)
fdroessler (1)
arosen93 (1)
hmayes (1)
sibo (1)
NKUCodingCat (1)
yanfeiguan (1)
berquist (1)

Top Issue Labels

bug (1)

Top Pull Request Labels

Package metadata

Total packages: 2
Total downloads:
- pypi: 340 last-month
Total dependent packages: 3 (may contain duplicates)
Total dependent repositories: 1 (may contain duplicates)
Total versions: 11
Total maintainers: 1

pypi.org: goodvibes

A python program to compute corrections to thermochemical data from frequency calculations

Homepage: https://github.com/patonlab/goodvibes
Documentation: https://goodvibes.readthedocs.io/
Licenses: mit
Latest release: 3.1.1 (published about 3 years ago)
Last Synced: 2024-05-15T10:41:56.355Z (12 months ago)
Versions: 9
Dependent Packages: 2
Dependent Repositories: 1
Downloads: 340 Last month
Rankings:
- Forks count: 6.157%
- Stargazers count: 6.742%
- Dependent packages count: 7.529%
- Average: 11.895%
- Downloads: 16.486%
- Dependent repos count: 22.563%
Maintainers (1)
- bobbypaton

conda-forge.org: goodvibes

Homepage: https://github.com/patonlab/goodvibes
Licenses: MIT
Latest release: 3.1.1 (published about 3 years ago)
Last Synced: 2024-06-04T00:03:17.305Z (11 months ago)
Versions: 2
Dependent Packages: 1
Dependent Repositories: 0
Rankings:
- Forks count: 24.462%
- Dependent packages count: 28.82%
- Average: 29.702%
- Stargazers count: 31.5%
- Dependent repos count: 34.025%

Dependencies

docs/requirements.txt pypi

Sphinx *
recommonmark *
sphinx-rtd-theme *
sphinxcontrib-napoleon *

goodvibes/requirements.txt pypi

cclib *
numpy *

setup.py pypi

cclib *
numpy *

Score: 13.926873025817736

ecosyste.ms

Data

Tools

Indexes

Applications

Experiments

Open Sustainable Technology