smol

cluster-expansion ising-model lattice-gas materials-science monte-carlo statistical-mechanics

Score: 13.625506768237344

Last synced: about 22 hours ago
JSON representation

Repository metadata:

Statistical Mechanics on Lattices

Host: GitHub
URL: https://github.com/CederGroupHub/smol
Owner: CederGroupHub
License: other
Created: 2019-11-25T23:17:27.000Z (over 6 years ago)
Default Branch: main
Last Pushed: 2026-07-14T00:34:50.000Z (about 1 month ago)
Last Synced: 2026-07-26T16:26:06.465Z (19 days ago)
Topics: cluster-expansion, ising-model, lattice-gas, materials-science, monte-carlo, statistical-mechanics
Language: Python
Homepage: https://cedergrouphub.github.io/smol/
Size: 93.4 MB
Stars: 99
Watchers: 4
Forks: 19
Open Issues: 25
Metadata Files:
- Readme: README.md
- Changelog: CHANGES.md
- License: LICENSE
- Citation: CITATION.cff

Owner metadata:

Name: Ceder Group
Login: CederGroupHub
Email:
Kind: organization
Description:
Website: http://ceder.berkeley.edu/
Location:
Twitter:
Company:
Icon url: https://avatars.githubusercontent.com/u/34322218?v=4
Repositories: 19
Last Synced at: 2023-03-04T15:04:23.738Z
Profile URL: https://github.com/CederGroupHub

GitHub Events

Total

Create event: 49
Delete event: 56
Fork event: 5
Issue comment event: 36
Issues event: 16
Pull request event: 115
Pull request review comment event: 2
Pull request review event: 7
Push event: 90
Release event: 4
Watch event: 22
Total: 402

Last Year

Create event: 17
Delete event: 19
Fork event: 1
Issue comment event: 3
Pull request event: 44
Push event: 45
Watch event: 6
Total: 135

Committers metadata

Last synced: 2 days ago

Total Commits: 2,133
Total Committers: 9
Avg Commits per committer: 237.0
Development Distribution Score (DDS): 0.27

Commits in past year: 55
Committers in past year: 4
Avg Commits per committer in past year: 13.75
Development Distribution Score (DDS) in past year: 0.6

Name	Email	Commits
lbluque	l**e@b**u	1558
qchempku2017	6**6@q**m	200
dependabot[bot]	4****]	169
Ronald Kam	k**d@b**u	111
pre-commit-ci[bot]	6****]	62
tchen0965	t**5@g**m	13
juliayang	j**g@b**u	8
Peichen Zhong	z**c@b**u	8
zinab jadidi	z**i@g**m	4

Issue and Pull Request metadata

Last synced: 9 days ago

Total issues: 43
Total pull requests: 315
Average time to close issues: 3 months
Average time to close pull requests: 15 days
Total issue authors: 13
Total pull request authors: 6
Average comments per issue: 2.47
Average comments per pull request: 0.42
Merged pull request: 230
Bot issues: 0
Bot pull requests: 252

Past year issues: 1
Past year pull requests: 33
Past year average time to close issues: 4 days
Past year average time to close pull requests: 2 months
Past year issue authors: 1
Past year pull request authors: 4
Past year average comments per issue: 1.0
Past year average comments per pull request: 0.61
Past year merged pull request: 15
Past year bot issues: 0
Past year bot pull requests: 31

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

Top Issue Authors

qchempku2017 (20)
lbluque (6)
kamronald (4)
Jeff-oakley (3)
ghalibalfaza (2)
jrjfonseca (1)
dmebane (1)
txy159 (1)
mstapelberg (1)
MarDiehl (1)
tankylz (1)
jic198 (1)
juliayang (1)

Top Pull Request Authors

dependabot[bot] (175)
github-actions[bot] (47)
lbluque (40)
pre-commit-ci[bot] (30)
kamronald (14)
qchempku2017 (9)

Top Issue Labels

bug (15)
enhancement (13)
triage (7)
documentation (3)
question (2)
code review (2)
good first issue (2)
wontfix (1)
dependencies (1)
testing (1)
github_actions (1)
python (1)

Top Pull Request Labels

dependencies (222)
github_actions (107)
python (71)
enhancement (6)
testing (3)
documentation (3)
bug (1)
breaking (1)
feature (1)
fix (1)

Package metadata

Total packages: 2
Total downloads:
- pypi: 738
Total dependent packages: 1 (may contain duplicates)
Total dependent repositories: 1 (may contain duplicates)
Total versions: 21
Total maintainers: 1

pypi.org: smol

Lighthweight but caffeinated Python implementation of computational methods for statistical mechanical calculations of configurational states in crystalline material systems.

Homepage:
Documentation: https://smol.readthedocs.io/
Licenses: BSD License
Latest release: 0.5.7 (published over 1 year ago)
Last Synced: 2026-08-13T02:04:08.178Z (2 days ago)
Versions: 19
Dependent Packages: 1
Dependent Repositories: 1
Downloads: 738 Last month
Rankings:
- Dependent packages count: 4.776%
- Downloads: 7.417%
- Average: 11.262%
- Dependent repos count: 21.593%
Maintainers (1)
- lbluque

pypi.org: statmech-on-lattices

Lighthweight but caffeinated Python implementation of computational methods for statistical mechanical calculations of configurational states in crystalline material systems.

Homepage: https://cedergrouphub.github.io/smol
Documentation: https://statmech-on-lattices.readthedocs.io/
Licenses: Modified BSD
Latest release: 0.0.2 (published about 4 years ago)
Last Synced: 2026-08-13T02:36:42.205Z (2 days ago)
Versions: 2
Dependent Packages: 0
Dependent Repositories: 0
Downloads: 0
Rankings:
- Dependent packages count: 4.842%
- Dependent repos count: 6.331%
- Forks count: 13.389%
- Average: 19.043%
- Stargazers count: 19.255%
- Downloads: 51.399%

Dependencies

environment.yml conda

cvxopt
cvxpy
h5py
polytope
pymatgen
python 3.11
scipy
spglib <2.0.0

requirements.txt pypi

h5py ==3.14.0
monty ==2025.3.3
numpy ==2.2.1
pymatgen ==2025.01.09

.github/workflows/build.yml actions

actions/checkout v6 composite
actions/upload-artifact v6 composite
conda-incubator/setup-miniconda v3 composite
pypa/cibuildwheel v3.3.0 composite

.github/workflows/test.yml actions

actions/cache v4 composite
actions/checkout v6 composite
actions/download-artifact v7 composite
actions/setup-python v6 composite
actions/upload-artifact v6 composite
codacy/codacy-coverage-reporter-action v1 composite

requirements-optional.txt pypi

cvxopt *
cvxpy *
polytope *
scikit-learn >=1.1.2

.github/workflows/lint.yml actions

actions/checkout v6 composite
actions/setup-python v6 composite

pyproject.toml pypi

h5py >=3.12.0
monty >=2025.1.9
numpy >=2.0.0,<3.0
pymatgen >=2025.1.9

binder/requirements.txt pypi

crystal_toolkit *
h5py ==3.14.0
monty ==2025.3.3
nbgitpuller *
numpy ==2.2.1
pymatgen ==2024.11.13
scikit-learn ==1.6.1

.github/workflows/update-precommit.yaml actions

actions/checkout v6 composite
actions/setup-python v6 composite
peter-evans/create-pull-request v8.0.0 composite

docs/requirements.txt pypi

IPython *
nbsphinx *
sphinx ==8.2.3
sphinx_bootstrap_theme *

.github/workflows/docs.yml actions

actions/checkout v6 composite
actions/setup-python v6 composite
peaceiris/actions-gh-pages v4 composite

.github/workflows/release.yml actions

actions/download-artifact v7 composite
pypa/gh-action-pypi-publish release/v1 composite

setup.py pypi

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