Gibbs Ensemble

LAMMPS LAMMPS Mailing List Mirror
1

Hi,

I have seen in the archives that there may have been plans to implement Gibbs Ensemble MC into LAMMPS (http://lammps.sandia.gov/threads/msg43717.html) . Are there any immediate plans to do this?

If not, I'm going to give it a go. Do you still recommend basing this on temper with atom swaps between boxes based on atom/swap or gcmc fixes?

Thanks.

2

No one has worked on this so far as I know. Yes,

using two replicas (like the various commands in the

src/REPLICA dir) is a good way to go I think.

Steve