Hi, I can see that there are several options in lammps to do twisting of the particles. Is anyone aware whether the following proposed fix (fix twist) in the links below is available in the latest version of lammps? Can “fix twist” be replaced with another name? https://www.youtube.com/watch?v=tnhUKxsAaqw or https://www.youtube.com/watch?v=TzCJ4BTUQ20 Thanks, Hadi …

Good morning all, I have been developing a LAMMPS USER-Package for a set of pair styles that call some external utilities to calculate energy and forces. I have a question about carrying over data structures between compute calls. I have several multi-dimensional arrays that only need to be updated every time the LAMMPS neighbor list is updated. Currently I am attempting to only u…

Hi, I’ve recently managed to pull the available Docker Image of LAMMPS on a GPU cluster, which I call using: docker run -v /home/DockerDir:/home/WorkDir/ --gpus all --rm -it lammps/lammps:latest Then, I get: LAMMPS (30 Jul 2021) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task From there I can write on th…