Dear Steve/ Lammps Users,
I am in the point where i would like to start performing simulations with Lees-Edwards boundary conditions. I have read that the new release will accommodate this functionality. However I would be grateful if someone is having a more precise idea about the time that the the fix_deform will be released and if there is any other software capable of performing such simulations.
Many Thanks,
Scott
Asproulis Nikolaos
Scott,
We use a Parrinello-Rahman-like scheme that uses a shape matrix rather than the Lees-Edwards sliding brick scheme. It is more general and easier to implement in a multi-processor environment. I do not know what the timeline is on transferring fix_deform, temp_sllod, and nvt_sllod from my version to the main branch. It won’t be before June 4. Though, it is not a major transition, since the hard part of triclinic geometries already have been implemented.
Pieter