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

A simple molecular dynamics demo using Julia
https://github.com/singularitti/moleculardynamics.jl

julia julia-package materials-science metropolis-hastings molecular-dynamics molecular-dynamics-simulation monte-carlo-simulation physics-simulation

Last synced: 8 days ago
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A simple molecular dynamics demo using Julia

Host: GitHub
URL: https://github.com/singularitti/moleculardynamics.jl
Owner: singularitti
License: mit
Created: 2022-09-28T00:28:45.000Z (about 2 years ago)
Default Branch: main
Last Pushed: 2024-05-07T01:33:30.000Z (6 months ago)
Last Synced: 2024-05-07T02:34:14.221Z (6 months ago)
Topics: julia, julia-package, materials-science, metropolis-hastings, molecular-dynamics, molecular-dynamics-simulation, monte-carlo-simulation, physics-simulation
Language: TeX
Homepage:
Size: 2.8 MB
Stars: 0
Watchers: 3
Forks: 0
Open Issues: 0
Metadata Files:
- Readme: README.md
- License: LICENSE

Awesome Lists containing this project

README

        # MolecularDynamics

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

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

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

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

The code, which is [hosted on GitHub](https://github.com/singularitti/MolecularDynamics.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 MolecularDynamics

```

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

```julia

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

```

## Documentation

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

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

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

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

The [Contributing](@ref) page has

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