Implementation of FF-REM for HOOMD-blue.
Project description
Fourier-filtered Relative Entropy Minimization
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.
History
0.1.0 (2018-10-17)
First release on PyPI.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distributions
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file ff_rem-0.1.0-py2.py3-none-any.whl.
File metadata
- Download URL: ff_rem-0.1.0-py2.py3-none-any.whl
- Upload date:
- Size: 7.7 kB
- Tags: Python 2, Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.6.2 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.6.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
fc022aec3ba19e6810f574650858589bfba770ff154548dbc5bed07fe6c6844e
|
|
| MD5 |
1fbe29652982ca2a3316bee84b76e4d0
|
|
| BLAKE2b-256 |
715b40e952516d7bc691fa9f83b6c0577bbfb756eaf458cfb2108bbf0e6f28b5
|
