Commit graph

5 commits

Author SHA1 Message Date
Ole Schütt
3d0b1c90e6 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
Ole Schütt
2b6ea54d62 Format all input files 2023-12-18 22:41:19 +01:00
cschran
b5b8227902 Add analytical stress tensor 2021-12-08 20:05:54 +01:00
cschran
70852bd934 NNP: Fix variable cell handling 2020-12-21 22:09:18 +01:00
Christoph Schran
c24a65d155
NNP: Neural Network Potential force environment
Add implementation of Behler-Parrinello HD-NNPs
Contributions by F. Brieuc, O. Marsalek, H. Forbert are acknowledged.
2020-11-13 15:04:57 +01:00