aenet version 2 released

[Nong Artrith]

Dear all,

A new version of aenet has been released.  Among many smaller improvements, this version makes available a new Chebyshev descriptor for the local structural environment (Phys. Rev. B 96, 2017, 014112) that results in a significant performance improvement.  See the updated documentation for further details.

Right after releasing this version, we discovered and fixed two bugs.  Therefore, the most up-to-date release is v2.0.2.

The updated source code can be obtained from http://ann.atomistic.net/downloads and https://github.com/atomisticnet/aenet

All the best,
Nong

[Nong Artrith]

The link to the "downloads" page should have been:

http://ann.atomistic.net/download (without "s").  Thanks to Efrem Braun for pointing this out. 

Or download from the GitHub repo: https://github.com/atomisticnet/aenet.

[Nongnuch Artrith]

Dear all,

We just released aenet version 2.0.3

This is a bug-fix release that fixes an issue with reported energies in 'energies.*' files generated using the SAVE_ENERGIES directive in parallel training runs.  

Note that only parallel runs were affected. Generally, we recommend to use SAVE_ENERGIES with serial runs for simplicity, so that single energy file for each the training and test set are generated. The number of training iterations can be set to zero to read in the final potential and write out the energy files.

Thanks to April Cooper and Marcel Messer (Stuttgart University) for spotting this bug.

The updated source code can be obtained from http://ann.atomistic.net/download and https://github.com/atomisticnet/aenet

Best,
Nong