Metadata-Version: 2.1
Name: ase_extension
Version: 0.1.1
Requires-Dist: ase
Requires-Dist: numpy
Requires-Python: >=3.7
Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM

# ase_extension

Extension to ASE(atomistic simulation environment)

## Features

- `ase_extension.constraints.LogFermiWallPotential`: Constrain atoms in sphere with logfermi potential

## Installation


### With pypi

pip install ase_extension

### From source 

Install `maturin` first, and do:
```bash
pip install git+https://github.com/mjhong0708/ase_extension
```

## User guide

See [wiki](https://github.com/mjhong0708/ase_extension/wiki).
