Metadata-Version: 2.1
Name: PyQCAMS
Version: 1.0.3
Summary: Python Quasi Classical Atom Molecule Scattering
Home-page: https://github.com/Rkoost/PyQCAMS
Author: Rian Koots
Author-email: rian.koots@stonybrook.edu
License: UNKNOWN
Platform: UNKNOWN
Description-Content-Type: text/markdown
Requires-Dist: ipython (>=7.30)
Requires-Dist: matplotlib (>=3.7.1)
Requires-Dist: numpy (>=1.23.5)
Requires-Dist: pandas (>=1.2.4)
Requires-Dist: scipy (>=1.10.0)
Requires-Dist: multiprocess (>=0.70.14)

# PyQCAMS
Python Quasi-Classical Atom-Molecule Scattering, a Python package for atom-molecule scattering within the quasi-classical trajectory approach. 

## Installation
```python
pip install PyQCAMS
``` 

## Usage
<p>The `example` folder contains a full example for simulating the reaction H<sub>2</sub> + Ca. </p> 


## Data
A sample dataset to reproduce the figures in the example notebook can be found at https://figshare.com/s/8b923dab304005ae7a5c.  

## Contributing

Pull requests are welcome. For major changes, please open an issue first
to discuss what you would like to change.

Please make sure to update tests as appropriate.

## License

[MIT](https://choosealicense.com/licenses/mit/)



