struct gmx_wallcycle;
struct nbnxn_atomdata_t;
-struct nbnxn_search;
struct nonbonded_verlet_t;
+class PairSearch;
struct t_mdatoms;
struct tMPI_Atomic;
int nout);
void nbnxn_atomdata_set(nbnxn_atomdata_t *nbat,
- const nbnxn_search *nbs,
+ const PairSearch &pairSearch,
const t_mdatoms *mdatoms,
const int *atinfo);
/* Copy x to nbat->x.
* FillLocal tells if the local filler particle coordinates should be zeroed.
*/
-void nbnxn_atomdata_copy_x_to_nbat_x(const nbnxn_search *nbs,
+void nbnxn_atomdata_copy_x_to_nbat_x(const PairSearch &pairSearch,
Nbnxm::AtomLocality locality,
gmx_bool FillLocal,
- rvec *x,
+ const rvec *x,
nbnxn_atomdata_t *nbat,
gmx_wallcycle *wcycle);