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vasppy

A Python suite for manipulating VASP input and output

https://github.com/bjmorgan/vasppy

Science Score: 33.0%

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
    Links to: zenodo.org
  • ✓
    Committers with academic emails
    3 of 11 committers (27.3%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (8.0%) to scientific vocabulary

Keywords from Contributors

materials-science
Last synced: 10 months ago · JSON representation

Repository

A Python suite for manipulating VASP input and output

Basic Info
  • Host: GitHub
  • Owner: bjmorgan
  • License: mit
  • Language: Python
  • Default Branch: main
  • Homepage:
  • Size: 4.35 MB
Statistics
  • Stars: 46
  • Watchers: 5
  • Forks: 26
  • Open Issues: 5
  • Releases: 15
Created over 12 years ago · Last pushed about 2 years ago
Metadata Files
Readme Changelog License

README.md

vasppy - a Python suite for manipulating VASP files

DOI PyPI version Build Status Coverage Status Documentation Status

vasppy is a suite of Python tools and scripts written in Python for manipulating and processing VASP input and output files.

Tests

Automated testing of the latest build happens here

Manual tests can be run using python3 -m unittest discover

API documentation

API documentation is hosted at Read the Docs.

Owner

  • Name: Benjamin Morgan
  • Login: bjmorgan
  • Kind: user
  • Location: Bath, UK
  • Company: University of Bath

Computational Chemistry at the University of Bath, UK.

GitHub Events

Total
  • Watch event: 3
  • Push event: 3
Last Year
  • Watch event: 3
  • Push event: 3

Committers

Last synced: about 3 years ago

All Time
  • Total Commits: 443
  • Total Committers: 11
  • Avg Commits per committer: 40.273
  • Development Distribution Score (DDS): 0.199
Past Year
  • Commits: 5
  • Committers: 1
  • Avg Commits per committer: 5.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Benjamin Morgan b****2@g****m 355
Benjamin Morgan b****n@b****k 75
Lucy l****y@b****k 3
Thomas Young Cluster RITS Do NOT reset password m****3@l****k 2
lucydot l****y@g****m 2
Benjamin Morgan b****2@b****a 1
Conn O'Rourke c****e@g****m 1
Craig Fisher 6****r@u****m 1
LMMorgan 4****n@u****m 1
PatrickJTaylor 5****r@u****m 1
yw-fang f****n@g****m 1
Committer Domains (Top 20 + Academic)
bath.ac.uk: 2 balena-02.cm.balena: 1 login10.michael.ucl.ac.uk: 1

Issues and Pull Requests

Last synced: 12 months ago

All Time
  • Total issues: 16
  • Total pull requests: 12
  • Average time to close issues: 3 months
  • Average time to close pull requests: 7 days
  • Total issue authors: 11
  • Total pull request authors: 7
  • Average comments per issue: 4.88
  • Average comments per pull request: 0.67
  • Merged pull requests: 12
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • bjmorgan (5)
  • user200000 (2)
  • mwistey (1)
  • cajfisher (1)
  • Wangpaipai (1)
  • alejandrogallo (1)
  • alexsquires (1)
  • SUN123RAY (1)
  • obaica (1)
  • aamirshafique (1)
Pull Request Authors
  • bjmorgan (3)
  • lucydot (3)
  • PatrickJTaylor (2)
  • LMMorgan (1)
  • cajfisher (1)
  • connorourke (1)
  • yw-fang (1)
Top Labels
Issue Labels
bug (1) enhancement (1)
Pull Request Labels

Packages

  • Total packages: 2
  • Total downloads:
    • pypi 278 last-month
  • Total dependent packages: 1
    (may contain duplicates)
  • Total dependent repositories: 5
    (may contain duplicates)
  • Total versions: 22
  • Total maintainers: 1
pypi.org: vasppy

Python utilities for working with VASP inputs and outputs

  • Versions: 21
  • Dependent Packages: 1
  • Dependent Repositories: 5
  • Downloads: 278 Last month
Rankings
Dependent packages count: 4.8%
Dependent repos count: 6.6%
Forks count: 8.0%
Average: 8.4%
Stargazers count: 10.7%
Downloads: 11.7%
Maintainers (1)
bmorgan
Last synced: 12 months ago
conda-forge.org: vasppy

A Python suite for manipulating VASP input and output

  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
Rankings
Forks count: 32.0%
Dependent repos count: 34.0%
Average: 39.8%
Stargazers count: 42.0%
Dependent packages count: 51.2%
Last synced: 11 months ago

Dependencies

docs/requirements.txt pypi
  • Sphinx >=1.6.3
  • jupyter *
  • nbsphinx *
requirements.txt pypi
  • PyYAML *
  • fortranformat *
  • lxml *
  • monty *
  • numpy >=1.16.2
  • pandas *
  • pymatgen *
  • scipy >=1.4.1
  • tqdm *
setup.py pypi
  • PyYAML *
  • codeclimate-test-reporter *
  • coverage ==4.3.4
  • fortranformat *
  • lxml *
  • monty *
  • numpy >=1.16.2
  • pandas *
  • pymatgen >=2022.0.0
  • scipy >=1.4.1
  • tqdm *
.github/workflows/build.yml actions
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
  • coverallsapp/github-action 1.1.3 composite
.github/workflows/ruff.yml actions
  • actions/checkout v3 composite
  • chartboost/ruff-action v1 composite