https://github.com/aiidateam/aiida-atomistic
AiiDA plugin which contains data and methods for atomistic simulations.
Science Score: 23.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
○CITATION.cff file
-
✓codemeta.json file
Found codemeta.json file -
○.zenodo.json file
-
○DOI references
-
○Academic publication links
-
✓Committers with academic emails
1 of 5 committers (20.0%) from academic institutions -
○Institutional organization owner
-
○JOSS paper metadata
-
○Scientific vocabulary similarity
Low similarity (9.4%) to scientific vocabulary
Repository
AiiDA plugin which contains data and methods for atomistic simulations.
Basic Info
- Host: GitHub
- Owner: aiidateam
- License: mit
- Language: Python
- Default Branch: develop
- Homepage: https://aiidateam.github.io/aiida-atomistic/
- Size: 1.66 MB
Statistics
- Stars: 3
- Watchers: 4
- Forks: 8
- Open Issues: 28
- Releases: 0
Metadata Files
README.md
aiida-atomistic
AiiDA plugin which contains data and methods for atomistic simulations.
Installation
shell
git clone https://github.com/aiidateam/aiida-atomistic .
pip install ./aiida-atomistic
verdi quicksetup # better to set up a new profile
verdi plugin list aiida.data # should now show your data plugins
Development
shell
git clone https://github.com/aiidateam/aiida-atomistic .
cd aiida-atomistic
pip install --upgrade pip
pip install -e .[pre-commit,testing] # install extra dependencies
pre-commit install # install pre-commit hooks
pytest -v # discover and run all tests
See the developer guide for more information.
License
MIT
Contact
mikibonacci@psi.ch
Owner
- Name: AiiDA team
- Login: aiidateam
- Kind: organization
- Website: http://www.aiida.net
- Repositories: 63
- Profile: https://github.com/aiidateam
The development team of AiiDA
GitHub Events
Total
- Issues event: 23
- Issue comment event: 5
- Pull request event: 1
- Fork event: 1
- Create event: 1
Last Year
- Issues event: 23
- Issue comment event: 5
- Pull request event: 1
- Fork event: 1
- Create event: 1
Committers
Last synced: over 1 year ago
Top Committers
| Name | Commits | |
|---|---|---|
| mikibonacci | m****i@h****t | 96 |
| Miki Bonacci | b****m@m****h | 20 |
| Alexander Goscinski | a****i@p****e | 6 |
| Xing Wang | x****1@g****m | 1 |
| Miki Bonacci | m****i@T****l | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 11 months ago
All Time
- Total issues: 49
- Total pull requests: 16
- Average time to close issues: 3 months
- Average time to close pull requests: about 2 hours
- Total issue authors: 3
- Total pull request authors: 3
- Average comments per issue: 1.2
- Average comments per pull request: 0.0
- Merged pull requests: 12
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 25
- Pull requests: 2
- Average time to close issues: about 2 months
- Average time to close pull requests: less than a minute
- Issue authors: 2
- Pull request authors: 1
- Average comments per issue: 0.24
- Average comments per pull request: 0.0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- mikibonacci (36)
- superstar54 (8)
- mbercx (5)
Pull Request Authors
- mikibonacci (23)
- agoscinski (4)
- superstar54 (3)
Top Labels
Issue Labels
Pull Request Labels
Dependencies
- actions/checkout v2 composite
- actions/setup-python v2 composite
- postgres 10 docker
- rabbitmq latest docker
- actions/checkout v2 composite
- actions/setup-python v1 composite
- aiida-core >=2.0,<3
- voluptuous *