- * ir->verletbuf_tol*nstlist*ir->delta_t over the lifetime of the list.
- * Returns the number of non-linear virtual sites. For these it's difficult
- * to determine their contribution to the drift exaclty, so we approximate.
- * Returns the pair-list cut-off.
+ * inputrec.verletbuf_tol*nstlist*inputrec.delta_t over the lifetime of the list.
+ *
+ * \note For non-linear virtual sites it can be problematic to determine their
+ * contribution to the drift exaclty, so we approximate.
+ *
+ * \param[in] mtop The system topology
+ * \param[in] boxVolume The volume of the unit cell
+ * \param[in] inputrec The input record
+ * \param[in] nstlist The pair list update frequency in steps (is not taken from \p inputrec)
+ * \param[in] listLifetime The lifetime of the pair-list, usually nstlist-1, but could be different for dynamic pruning
+ * \param[in] referenceTemperature The reference temperature for the ensemble
+ * \param[in] listSetup The pair-list setup
+ * \returns The computed pair-list radius including buffer