Release notes / Revision history¶
0.5¶
Release date: February 24, 2017
The code has been significantly restructured since the previous version, in order to increase the modularity; much of the code structure has been changed since v0.4. Specific changes below:
- A parallelization scheme allowing for fast message passing with ZeroMQ.
- A simpler database format based on files, which optionally can be compressed to save diskspace.
- Incorporation of an experimental neural network model based on google’s TensorFlow package. Requires TensorFlow version 0.11.0.
- Incorporation of an experimental bootstrap module for uncertainty analysis.
0.4¶
Release date: February 29, 2016
Corresponds to the publication of Khorshidi, A; Peterson*, AA. Amp: a modular approach to machine learning in atomistic simulations. Computer Physics Communications 207:310-324, 2016. http://dx.doi.org/10.1016/j.cpc.2016.05.010
Permanently available at https://doi.org/10.5281/zenodo.46737
0.3¶
Release date: July 13, 2015
First release under the new name “Amp” (Atomistic Machine-Learning Package/Potentials).
Permanently available at https://doi.org/10.5281/zenodo.20636
0.2¶
Release date: July 13, 2015
Last version under the name “Neural: Machine-learning for Atomistics”. Future versions are named “Amp”.
Available as the v0.2 tag in https://bitbucket.org/andrewpeterson/neural/commits/tag/v0.2
0.1¶
Release date: November 12, 2014
(Package name: Neural: Machine-Learning for Atomistics)
Permanently available at https://doi.org/10.5281/zenodo.12665.
First public bitbucket release: September, 2014.