Python-based library for easy force-field fitting
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
Code documentation and examples can be found at ezff.readthedocs.io
Uses xtal for handling atomic structures and trajectories. Multi-objective optimization is implemented through Platypus.
- Please make sure to submit only passing builds
- Adhere to PEP 8 if you can
- Submit a pull request