QMMM: update force.c (!2) · Merge requests · SParTA / PuReMD

Merged Kaymak, Cagri requested to merge QMMM_force_update into master 4 years ago

Mar 04, 2021
- Merge branch 'master' into QMMM_force_update. · 6ba24b9b
  Kurt A. O'Hearn authored 4 years ago
  
  6ba24b9b
Mar 03, 2021
- set q_init in reset_qmmm · fc8dca52
  Kaymak, Cagri authored 4 years ago
  
  fc8dca52
- QMMM interface related: ignore QM-MM bonds while forming bond lists, update... · 3ab7be86
  Kaymak, Cagri authored 4 years ago
  
  QMMM interface related: ignore QM-MM bonds while forming bond lists, update charge matrix so that the total charge constraint only applies to QM atoms
  3ab7be86

QMMM: update force.c