Wrap at periodic boundaries

This modifier remaps particles that are located outside of the simulation box back into the box by “wrapping” their coordinates around at the boundaries of the simulation box.

../../../_images/wrap_at_periodic_boundaries_example_after.png — Output

The wrapping is only performed along those directions for which periodic boundary conditions (PBC) are enabled for the simulation cell. The PBC flags are read from the input simulation file if available and can be manually set in the Simulation cell panel.

Added in version 3.10.1: As a side effect of the coordinate wrapping, the Periodic Image property gets created by the modifier – or updated if already present. This particle property stores for each particle which periodic image of the simulation cell it was located in originally. This information may be used later on to unwrap the particle coordinates again using the Unwrap trajectories modifier.