Commit d3448b8c authored by Ryan Morelock's avatar Ryan Morelock
Browse files

Updated README.md

parent acfec5ad
Loading
Loading
Loading
Loading
+6 −4
Original line number Diff line number Diff line
# vdW_structures

## Overview
`vdW_structures` is a Python package that facilitates the modification of van der Waals (vdW) layered materials built on `pymatgen`.
`vdW_structures` is a Python package built on `ase` and `pymatgen` that facilitates the construction of van der Waals (vdW) layered materials.

## Features
- Allows the user to extract and recombine individual layers of vdW materials
- Improves `pymatgen`'s CoherentInterfaceBuilder() handling of vdW heterostructure construction
- Supports common vdW structural transformations (e.g., x, y and z-direction shifts of individual layers)
- Allows the user to extract and recombine individual layers of vdW materials.
- Improves `pymatgen`'s CoherentInterfaceBuilder() handling of vdW heterostructure construction.
- Supports common vdW structural transformations (e.g., x, y and z-direction shifts of individual layers).

## Installation
You can install `vdW_structures` using pip:

```bash
pip install git+https://github.com/yourusername/vdW_structures.git
```

Alternatively, if you're developing the package, clone the repository and install it in editable mode. 

@@ -20,6 +21,7 @@ Alternatively, if you're developing the package, clone the repository and instal
git clone https://github.com/yourusername/vdW_structures.git
cd vdW_structures
pip install -e .
```

## License
This project is licensed under the MIT License.