winterPack/ReaxFF-Optimization: ReaxFF-Optimization codes
| Main Author: | winterPack |
|---|---|
| Format: | info software Journal |
| Terbitan: |
, 2017
|
| Online Access: |
https://zenodo.org/record/583774 |
Daftar Isi:
- Uses one parameter a time algorithm to optimize a ReaxFF algorithm for C, H, O, Al, Cl system. Auxiliary tools included.