EZFF

Python-based library for easy force-field fitting

Installation

Install from PyPI using

python3 -m pip install https://github.com/ppgaluzio/MOBOpt/archive/master.zip
python3 -m pip install EZFF

To get the examples and documentation, install the latest developmental version from GitHub via

git clone https://github.com/arvk/EZFF.git
cd EZFF
python setup.py install

Documentation

Code documentation and examples can be found at ezff.readthedocs.io

Requirements

Uses xtal for handling atomic structures and trajectories. Multi-objective optimization is implemented through Platypus.

Contributing

1. Please make sure to submit only passing builds
2. Adhere to PEP 8 if you can
3. Submit a pull request