* \param[in] md Atoms data.
* \param[in] numTempScaleValues Number of temperature scaling groups. Set zero for no temperature coupling.
*/
- void set(DeviceBuffer<RVec> d_x,
- DeviceBuffer<RVec> d_v,
- const DeviceBuffer<RVec> d_f,
- const t_idef& idef,
- const t_mdatoms& md,
- const int numTempScaleValues);
+ void set(DeviceBuffer<RVec> d_x,
+ DeviceBuffer<RVec> d_v,
+ const DeviceBuffer<RVec> d_f,
+ const InteractionDefinitions& idef,
+ const t_mdatoms& md,
+ const int numTempScaleValues);
/*! \brief
* Update PBC data.