Commit History

Author SHA1 Message Date
  Alexander Rose 0f33144935 wip, various nci fixes and tweaks 5 years ago
  Alexander Rose 1fa64c836c wip, charged interactions 5 years ago
  Alexander Rose af700c1481 wip, refactored interaction computation 5 years ago
  Alexander Rose f86b46076c wip, interactions & valence-model label providers 5 years ago
  Alexander Rose 0f4d0ff986 wip, interactions, features in invariant space 5 years ago
  Alexander Rose a86438a265 wip, interactions & hydrogen bonds 5 years ago
  Alexander Rose 97e6884487 wip, fix interactions marking 5 years ago
  Alexander Rose 8fd56dbc38 wip, interactions 5 years ago