Published February 15, 2021
| Version v2.1.1
Software
Open
CompPhysVienna/n2p2: Version 2.1.1
Authors/Creators
- 1. ORNL
- 2. ENS Lyon
- 3. Google
Description
New features
- Now compatible with latest LAMMPS stable release
29Oct2020 - Improved EW warnings in LAMMPS
- Citation header in screen output
- Restructured training to prepare for multi-network HDNNPs (e.g. 4G-HDNNP)
- New training "properties" can be added more easily now
Bugfixes
- Fixed bugs in makefiles
- Fixed bug when creating scaling data
Files
CompPhysVienna/n2p2-v2.1.1.zip
Files
(7.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:4c1be2a811efe6d31bc55ae0cc932f52
|
7.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/CompPhysVienna/n2p2/tree/v2.1.1 (URL)