https://github.com/mcgalcode/lennard-jones-md
https://github.com/mcgalcode/lennard-jones-md
Last synced: 11 months ago
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- Host: GitHub
- URL: https://github.com/mcgalcode/lennard-jones-md
- Owner: mcgalcode
- Created: 2024-09-03T19:07:52.000Z (almost 2 years ago)
- Default Branch: main
- Last Pushed: 2024-09-04T17:19:06.000Z (almost 2 years ago)
- Last Synced: 2025-02-26T13:14:29.566Z (over 1 year ago)
- Language: Python
- Size: 4.88 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
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README
# Welcome to Lennard-Jones Molecular Dynamics
This is a simple code that implements a Lennard-Jones forcefield for 1D MD simulations.
## Installation instructions
This package can only be installed from source. First, clone this package:
```
git clone https://github.com/mcgalcode/lennard-jones-md.git
```
Next, you can use pip to install it directly:
```
cd lennard-jones-md
pip install .
```
### Verifying your installation
Open a python REPL and try importing the package:
```
python
Python 3.10.6 (main, Oct 7 2022, 15:17:36) [Clang 12.0.0 ] on darwin
Type "help", "copyright", "credits" or "license" for more information.
>>> import lennard_jones_md as ljmd
```
If the import works correctly, you should be good to go!