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Open Source Science

https://github.com/berquist/rchem

Ab initio quantum chemistry in Rust from scratch

https://github.com/berquist/rchem

Science Score: 26.0%

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
  • ○
    Academic links in README
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Unable to calculate vocabulary similarity

Keywords

chemistry hacktoberfest quantum-chemistry rust
Last synced: 7 months ago · JSON representation

Repository

Ab initio quantum chemistry in Rust from scratch

Basic Info
  • Host: GitHub
  • Owner: berquist
  • License: bsd-3-clause
  • Language: Rust
  • Default Branch: main
  • Homepage:
  • Size: 678 KB
Statistics
  • Stars: 13
  • Watchers: 1
  • Forks: 0
  • Open Issues: 6
  • Releases: 0
Topics
chemistry hacktoberfest quantum-chemistry rust
Created almost 7 years ago · Last pushed 7 months ago
Metadata Files
License

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: 1
  • Delete event: 96
  • Issue comment event: 18
  • Push event: 143
  • Pull request review event: 2
  • Pull request event: 202
  • Create event: 99
Last Year
  • Issues event: 1
  • Watch event: 1
  • Delete event: 96
  • Issue comment event: 18
  • Push event: 143
  • Pull request review event: 2
  • Pull request event: 202
  • Create event: 99

Issues and Pull Requests

Last synced: 7 months ago

All Time
  • Total issues: 5
  • Total pull requests: 241
  • Average time to close issues: about 1 month
  • Average time to close pull requests: 10 days
  • Total issue authors: 3
  • Total pull request authors: 4
  • Average comments per issue: 0.0
  • Average comments per pull request: 0.05
  • Merged pull requests: 198
  • Bot issues: 5
  • Bot pull requests: 235
Past Year
  • Issues: 2
  • Pull requests: 125
  • Average time to close issues: about 1 hour
  • Average time to close pull requests: 4 days
  • Issue authors: 2
  • Pull request authors: 4
  • Average comments per issue: 0.0
  • Average comments per pull request: 0.06
  • Merged pull requests: 93
  • Bot issues: 2
  • Bot pull requests: 122
View more stats
Top Authors
Issue Authors
  • dependabot[bot] (3)
  • renovate[bot] (1)
  • pre-commit-ci[bot] (1)
Pull Request Authors
  • dependabot[bot] (156)
  • renovate[bot] (73)
  • pre-commit-ci[bot] (6)
  • berquist (6)
Top Labels
Issue Labels
dependencies (3) rust (3)
Pull Request Labels
dependencies (229) rust (156) github_actions (34) pre-commit (16)

Dependencies

Cargo.lock cargo
  • 110 dependencies
Cargo.toml cargo
  • GSL 1.1
  • approx 0.3
  • arrayvec 0.4
  • boys 0.1
  • chemfiles 0.9
  • cpython 0.2
  • factorial 0.2
  • ndarray 0.12
  • ndarray-linalg 0.11
  • num-integer 0.1
  • serde 1.0
  • serde_json 1.0
.github/workflows/CI.yml actions
  • actions-rs/cargo v1 composite
  • actions-rs/toolchain v1 composite
  • actions/checkout v4 composite