Fourier-filtered Relative Entropy Minimization¶

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Documentation Status

Implementation of the Fourier-filtered Entropy Minimization (FF-REM) method for HOOMD-blue. The method is described in detail in the associated publication:

Carl S. Adorf, James Antonaglia, Julia Dshemuchadse, Sharon C. Glotzer, 2018. DOI: 10.1063/1.5063802.

Free software: MIT license
Documentation: https://ff-rem.readthedocs.io.

Quickstart¶

A complete example for the recovery of a Lennard-Jones potential is shown in examples/lennard-jones.

Requirements¶

numpy
HOOMD-blue
gsd

Testing¶

To execute unit tests, run:

$ python -m unittest discover tests/

within the package root directory.

Credits¶

This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.