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danijoo
2018-06-20 10:58:47 +02:00
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@@ -18,6 +18,22 @@ Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free En
![Example](https://raw.githubusercontent.com/danijoo/adaptiveumbrella/master/examples/example.gif) ![Example](https://raw.githubusercontent.com/danijoo/adaptiveumbrella/master/examples/example.gif)
## Installation
Adaptiveumbrella supports python version 3.4+ and can be installed via pip or manually:
```bash
pip install --user git+https://github.com/danijoo/adaptiveumbrella.git
```
Alternative:
```bash
git clone https://github.com/danijoo/adaptiveumbrella.git
cd adaptiveumbrella
python setup.py install --user
```
## Usage ## Usage
Implement the UmbrellaRunner class according to your needs: Implement the UmbrellaRunner class according to your needs: