bond informatioon from reax/c

Dear all:
I remember a few months ago there was some discussion on extending the reax/bond command to work with the reaxC style.
Has this been done?


I don't think so. There was a 6OCt11 patch for adding
tallying of per-atom energy/stress, but I don't think this
did anything for fix reax/bonds. Maybe Aidan or Ray
can comment.


Hi Tamara,

Ray Shan has created a fix reaxc/bond that works with the ReaxC style. I
don't think he has released it to Steve yet, but he could send you a copy,
if you are willing to test it out.


Hi all:
I'd also be interested in testing this if possible.


This will be posted as a patch shortly.