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Open Source Science

https://github.com/singularitti/vaspseudopotentials.jl

Vienna Ab initio Simulation Package (VASP) pseudopotentials format

https://github.com/singularitti/vaspseudopotentials.jl

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 publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (8.4%) to scientific vocabulary

Keywords

chemistry database julia-package materials-science pseudopotentials solid-state-physics vasp
Last synced: 5 months ago · JSON representation

Repository

Vienna Ab initio Simulation Package (VASP) pseudopotentials format

Basic Info
Statistics
  • Stars: 0
  • Watchers: 0
  • Forks: 0
  • Open Issues: 1
  • Releases: 0
Topics
chemistry database julia-package materials-science pseudopotentials solid-state-physics vasp
Created 7 months ago · Last pushed 6 months ago
Metadata Files
Readme License

README.md

VASPseudopotentials

| Documentation | Stable Dev | | :---------------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | | Build Status | Build Status Build StatusBuild Status | | Coverage | Coverage Coverage | | Others | Code Style: Blue License |

The code, which is hosted on GitHub, is tested using various continuous integration services for its validity.

This repository is created and maintained by @singularitti, and contributions are highly welcome.

Package features

Installation

The package can be installed with the Julia package manager. From the Julia REPL, type ] to enter the Pkg mode and run:

julia-repl pkg> add VASPseudopotentials

Or, equivalently, via Pkg.jl:

julia julia> import Pkg; Pkg.add("VASPseudopotentials")

Documentation

  • STABLE — documentation of the most recently tagged version.
  • DEV — documentation of the in-development version.

Project status

The package is developed for and tested against Julia v1.6 and above on Linux, macOS, and Windows.

Questions and contributions

You can post usage questions on our discussion page.

We welcome contributions, feature requests, and suggestions. If you encounter any problems, please open an issue. The Contributing page has a few guidelines that should be followed when opening pull requests and contributing code.

Owner

  • Name: Qi Zhang
  • Login: singularitti
  • Kind: user
  • Location: 201 E 24th St, Austin, TX 78712
  • Company: Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin

Postdoc in computational physics / materials science, Julia language enthusiast

GitHub Events

Total
  • Create event: 4
  • Commit comment event: 1
  • Issues event: 2
  • Delete event: 1
  • Issue comment event: 1
  • Push event: 15
  • Pull request event: 1
Last Year
  • Create event: 4
  • Commit comment event: 1
  • Issues event: 2
  • Delete event: 1
  • Issue comment event: 1
  • Push event: 15
  • Pull request event: 1

Issues and Pull Requests

Last synced: 6 months ago

Packages

  • Total packages: 1
  • Total downloads: unknown
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 1
juliahub.com: VASPseudopotentials

Vienna Ab initio Simulation Package (VASP) pseudopotentials format

  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
Rankings
Dependent repos count: 8.2%
Average: 21.7%
Dependent packages count: 35.3%
Last synced: 6 months ago

Dependencies

.github/workflows/CI.yml actions
  • actions/checkout v4 composite
  • codecov/codecov-action v4 composite
  • julia-actions/cache v2 composite
  • julia-actions/julia-buildpkg v1 composite
  • julia-actions/julia-docdeploy v1 composite
  • julia-actions/julia-processcoverage v1 composite
  • julia-actions/julia-runtest v1 composite
  • julia-actions/setup-julia v2 composite
.github/workflows/CompatHelper.yml actions
.github/workflows/Register.yml actions
  • julia-actions/RegisterAction latest composite
.github/workflows/TagBot.yml actions
  • JuliaRegistries/TagBot v1 composite