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EZFF2

Note this code is modified version of 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/akvatol/EZFF2
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.

Modifications

Added the capability to calculate the phonon frequencies at the Gamma point and to read the Young's modulus (see to the example "ws2-serial").

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Python-based library for easy force-field fitting

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