}
}
-void dd_print_missing_interactions(const gmx::MDLogger& mdlog,
- t_commrec* cr,
- int local_count,
- const gmx_mtop_t* top_global,
- const gmx_localtop_t* top_local,
- const rvec* x,
- const matrix box)
+void dd_print_missing_interactions(const gmx::MDLogger& mdlog,
+ t_commrec* cr,
+ int local_count,
+ const gmx_mtop_t* top_global,
+ const gmx_localtop_t* top_local,
+ gmx::ArrayRef<const gmx::RVec> x,
+ const matrix box)
{
int ndiff_tot, cl[F_NRE], n, ndiff, rest_global, rest_local;
int ftype, nral;
}
print_missing_interactions_atoms(mdlog, cr, top_global, &top_local->idef);
- write_dd_pdb("dd_dump_err", 0, "dump", top_global, cr, -1, x, box);
+ write_dd_pdb("dd_dump_err", 0, "dump", top_global, cr, -1, as_rvec_array(x.data()), box);
std::string errorMessage;