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Open Source Science

https://github.com/berquist/boys

Multiple algorithms for calculating the Boys function

https://github.com/berquist/boys

Science Score: 39.0%

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
    Found .zenodo.json file
  • ✓
    DOI references
    Found 2 DOI reference(s) in README
  • ○
    Academic publication links
  • ○
    Committers with academic emails
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (7.1%) to scientific vocabulary

Keywords from Contributors

archival sequences serializer standardization projection generic xunit-framework xunit-test graph-generation controllers
Last synced: 10 months ago · JSON representation

Repository

Multiple algorithms for calculating the Boys function

Basic Info
  • Host: GitHub
  • Owner: berquist
  • License: lgpl-3.0
  • Language: Rust
  • Default Branch: main
  • Homepage:
  • Size: 887 KB
Statistics
  • Stars: 2
  • Watchers: 0
  • Forks: 0
  • Open Issues: 3
  • Releases: 0
Created about 7 years ago · Last pushed 10 months ago
Metadata Files
Readme License

README.md

Build Status License Issues crates.io Docs.rs

boys

A Rust library for calculation of the Boys function

equation

via a number of methods:

System dependencies

The GNU Scientific Library (GSL) is used via the rgsl crate to provide the gamma and incomplete gamma functions for the exact implementation and the error function for Michael Böhme's algorithm.

| OS/distro | install command | |------------------------|------------------------------------| | Debian/Ubuntu | sudo apt-get install libgsl0-dev | | Arch Linux | sudo pacman -S gsl | | macOS (using Homebrew) | brew install gsl |

Literature

S. F. Boys, Proc R. Soc. Am. 1950, 200, 542.

Owner

  • Name: Eric Berquist
  • Login: berquist
  • Kind: user
  • Location: Boston, MA
  • Company: Sandia National Laboratories

full-stack quantum chemist

GitHub Events

Total
  • Issues event: 1
  • Watch event: 2
  • Delete event: 250
  • Issue comment event: 7
  • Push event: 559
  • Pull request review event: 2
  • Pull request event: 489
  • Create event: 248
Last Year
  • Issues event: 1
  • Watch event: 2
  • Delete event: 250
  • Issue comment event: 7
  • Push event: 559
  • Pull request review event: 2
  • Pull request event: 489
  • Create event: 248

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 54
  • Total Committers: 3
  • Avg Commits per committer: 18.0
  • Development Distribution Score (DDS): 0.148
Past Year
  • Commits: 6
  • Committers: 2
  • Avg Commits per committer: 3.0
  • Development Distribution Score (DDS): 0.5
Top Committers
Name Email Commits
Eric Berquist e****t@g****m 46
dependabot[bot] 4****] 5
dependabot-preview[bot] 2****] 3

Issues and Pull Requests

Last synced: 10 months ago

All Time
  • Total issues: 4
  • Total pull requests: 530
  • Average time to close issues: 17 days
  • Average time to close pull requests: 7 days
  • Total issue authors: 2
  • Total pull request authors: 5
  • Average comments per issue: 0.75
  • Average comments per pull request: 0.03
  • Merged pull requests: 460
  • Bot issues: 2
  • Bot pull requests: 513
Past Year
  • Issues: 2
  • Pull requests: 488
  • Average time to close issues: about 10 hours
  • Average time to close pull requests: 2 days
  • Issue authors: 1
  • Pull request authors: 3
  • Average comments per issue: 0.0
  • Average comments per pull request: 0.01
  • Merged pull requests: 429
  • Bot issues: 2
  • Bot pull requests: 478
View more stats
Top Authors
Issue Authors
  • renovate[bot] (2)
  • berquist (2)
Pull Request Authors
  • renovate[bot] (472)
  • dependabot[bot] (21)
  • berquist (17)
  • pre-commit-ci[bot] (14)
  • dependabot-preview[bot] (6)
Top Labels
Issue Labels
bug (1) documentation (1) dependencies (1)
Pull Request Labels
dependencies (499) github_actions (135) pre-commit (17)

Packages

  • Total packages: 1
  • Total downloads:
    • cargo 2,661 total
  • Total dependent packages: 0
  • Total dependent repositories: 1
  • Total versions: 1
  • Total maintainers: 1
crates.io: boys

Different algorithms for calculating the Boys function

  • Documentation: https://docs.rs/boys/
  • License: non-standard
  • Latest release: 0.1.0
    published over 4 years ago
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 2,661 Total
Rankings
Dependent repos count: 16.5%
Dependent packages count: 36.1%
Forks count: 40.5%
Average: 42.6%
Stargazers count: 56.0%
Downloads: 63.6%
Maintainers (1)
berquist
Last synced: 10 months ago

Dependencies

Cargo.toml cargo
  • criterion 0.3 development
  • GSL 6.0.0
.github/workflows/CI.yml actions
  • actions-rs/cargo v1 composite
  • actions-rs/toolchain v1 composite
  • actions/checkout v2 composite
.github/workflows/docker.yml actions
  • actions/cache v4 composite
  • actions/checkout v4 composite
  • docker/build-push-action v5 composite
  • docker/login-action v3 composite
  • docker/metadata-action v5 composite
  • docker/setup-buildx-action v3 composite
  • reproducible-containers/buildkit-cache-dance v2.1.4 composite