struct gmx_mtop_t;
enum class PbcType : int;
-struct t_idef;
+class InteractionDefinitions;
struct t_inputrec;
struct t_mdatoms;
struct t_pbc;
* \param[in] md Atoms data.
* \param[in] numTempScaleValues Number of temperature scaling groups. Zero for no temperature scaling.
*/
- void set(DeviceBuffer<RVec> d_x,
- DeviceBuffer<RVec> d_v,
- DeviceBuffer<RVec> d_f,
- const t_idef& idef,
- const t_mdatoms& md,
- int numTempScaleValues);
+ void set(DeviceBuffer<RVec> d_x,
+ DeviceBuffer<RVec> d_v,
+ DeviceBuffer<RVec> d_f,
+ const InteractionDefinitions& idef,
+ const t_mdatoms& md,
+ int numTempScaleValues);
/*! \brief
* Update PBC data.