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Overview of options to prepare neighbor lists to be used in simulation and to be used in preparation of neighbor list.
| Option | Simulation | Neighbor list | Use |
|---|---|---|---|
| 1 | Verlet neighbor list | None | Small systems or long‐range potential |
| 2 | Verlet neighbor list | Linked list | Small systems or long‐range potential |
| 3 | Linked list | None | Large systems and short‐range potential |
