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

Vienna Ab initio Simulation Package (VASP) pseudopotentials format
https://github.com/singularitti/vaspseudopotentials.jl

chemistry database julia-package materials-science pseudopotentials solid-state-physics vasp

Last synced: 4 months ago
JSON representation

Vienna Ab initio Simulation Package (VASP) pseudopotentials format

• Host: GitHub
• URL: https://github.com/singularitti/vaspseudopotentials.jl
• Owner: singularitti
• License: mit
• Created: 2025-08-01T00:49:52.000Z (6 months ago)
• Default Branch: main
• Last Pushed: 2025-08-25T15:12:58.000Z (6 months ago)
• Last Synced: 2025-10-21T11:58:32.189Z (4 months ago)
• Topics: chemistry, database, julia-package, materials-science, pseudopotentials, solid-state-physics, vasp
• Language: Julia
• Homepage: https://singularitti.github.io/VASPseudopotentials.jl/
• Size: 388 KB
• Stars: 0
• Watchers: 0
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

README

          
# VASPseudopotentials

| **Documentation** | [![Stable](https://img.shields.io/badge/docs-stable-blue.svg)](https://singularitti.github.io/VASPseudopotentials.jl/stable/) [![Dev](https://img.shields.io/badge/docs-dev-blue.svg)](https://singularitti.github.io/VASPseudopotentials.jl/dev/)                                                                                                                                                                                                                                                                                                 |

| :---------------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |

| **Build Status**  | [![Build Status](https://github.com/singularitti/VASPseudopotentials.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/singularitti/VASPseudopotentials.jl/actions/workflows/CI.yml?query=branch%3Amain) [![Build Status](https://ci.appveyor.com/api/projects/status/github/singularitti/VASPseudopotentials.jl?svg=true)](https://ci.appveyor.com/project/singularitti/VASPseudopotentials-jl)[![Build Status](https://api.cirrus-ci.com/github/singularitti/VASPseudopotentials.jl.svg)](https://cirrus-ci.com/github/singularitti/VASPseudopotentials.jl) |

|   **Coverage**    | [![Coverage](https://github.com/singularitti/VASPseudopotentials.jl/badges/main/coverage.svg)](https://github.com/singularitti/VASPseudopotentials.jl/commits/main) [![Coverage](https://codecov.io/gh/singularitti/VASPseudopotentials.jl/branch/main/graph/badge.svg)](https://codecov.io/gh/singularitti/VASPseudopotentials.jl)                                                                                                                                                                                                                |

|    **Others**     | [![Code Style: Blue](https://img.shields.io/badge/code%20style-blue-4495d1.svg)](https://github.com/invenia/BlueStyle) [![License](https://img.shields.io/github/license/singularitti/VASPseudopotentials.jl)](https://github.com/singularitti/VASPseudopotentials.jl/blob/main/LICENSE)                                                                                                                                                                                                                                                   |

The code, which is [hosted on GitHub](https://github.com/singularitti/VASPseudopotentials.jl), is tested

using various continuous integration services for its validity.

This repository is created and maintained by

[@singularitti](https://github.com/singularitti), and contributions are highly welcome.

## Package features

## Installation

The package can be installed with the Julia package manager.

From [the Julia REPL](https://docs.julialang.org/en/v1/stdlib/REPL/), type `]` to enter

the [Pkg mode](https://docs.julialang.org/en/v1/stdlib/REPL/#Pkg-mode) and run:

```julia-repl

pkg> add VASPseudopotentials

```

Or, equivalently, via [`Pkg.jl`](https://pkgdocs.julialang.org/v1/):

```julia

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

```

## Documentation

- [**STABLE**](https://singularitti.github.io/VASPseudopotentials.jl/stable/) — **documentation of the most recently tagged version.**

- [**DEV**](https://singularitti.github.io/VASPseudopotentials.jl/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](https://github.com/singularitti/VASPseudopotentials.jl/discussions).

We welcome contributions, feature requests, and suggestions. If you encounter any problems,

please open an [issue](https://github.com/singularitti/VASPseudopotentials.jl/issues).

The [Contributing](@ref) page has

a few guidelines that should be followed when opening pull requests and contributing code.