Simulation model (model.xyz)

The format is the same as the GPUMD model.xyz file. All replicas use the same initial structure, species, masses, and simulation box.

Initial velocities are generated by the replica driver; velocities in this file are ignored for a fresh run. A resumed run uses the velocities in its restart files.

Fresh runs use fixed random seeds when compiled with -DDEBUG, and system-time seeds otherwise. Resumed runs restore the saved random-number-generator states in either build.