stilt.execution.run_simulation#
- stilt.execution.run_simulation(sim, footprints=None, *, skip_existing=True)[source]#
Run one simulation and publish its outputs.
With no footprints, only the trajectory is produced. With footprints, the trajectory is run as needed and every footprint is computed in one pass (the trajectory is loaded once). An empty footprint writes a marker so the outcome is durable and skip-existing treats it as done.