Metadata-Version: 2.1
Name: PyQCAMS
Version: 1.0.1
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
Description: # 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
        An example of usage is as written in `sim.py`. This runs trajectories in parallel, and loops over a list of impact parameters. See the `example` folder for output of this file, and `analysis_cah` for an example analysis of the reaction H$_2$ + Ca. 
        
        See `example.ipynb` notebook for detailed explanations on functionality. The `analysis.md` is an example usage of `pandas` to analyze a large dataset to create distribution and rate of formation plots. 
        
        
        ## 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/)
        
        
Platform: UNKNOWN
Description-Content-Type: text/markdown
