Skip to content
GitLab

Find missing interactions in DOPAIR2 and vectorized version.

Merged James Willis requested to merge fix_pair2_vec into master

Fixes three small bugs in the neighbour search:

  • Don't remove rshift from hi_max and pass h_max to populate_max_index_no_cache_force.
  • Fixes missing interactions in runner_dopair2_force_vec.
  • Fixes missing interactions in DOPAIR2 due to < versus <=.
Edited by Matthieu Schaller

Merge request reports