Skip to content
Snippets Groups Projects
Commit 3ab7be86 authored by Kaymak, Cagri's avatar Kaymak, Cagri
Browse files

QMMM interface related: ignore QM-MM bonds while forming bond lists, update...

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
parent d4189efa
No related branches found
No related tags found
1 merge request!2QMMM: update force.c
Loading
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment