if (ddRole == DDRole::Master)
{
- const DDBondedChecking ddBondedChecking = options.checkBondedInteractions
- ? DDBondedChecking::All
- : DDBondedChecking::ExcludeZeroLimit;
-
- dd_bonded_cg_distance(mdlog, mtop, ir, xGlobal, box, ddBondedChecking, &r_2b, &r_mb);
+ dd_bonded_cg_distance(mdlog, mtop, ir, xGlobal, box, options.ddBondedChecking, &r_2b, &r_mb);
}
gmx_bcast(sizeof(r_2b), &r_2b, communicator);
gmx_bcast(sizeof(r_mb), &r_mb, communicator);
const gmx_mtop_t& mtop,
const gmx::VirtualSitesHandler* vsite,
const t_inputrec& inputrec,
- const DDBondedChecking ddBondedChecking,
+ const gmx::DDBondedChecking ddBondedChecking,
gmx::ArrayRef<cginfo_mb_t> cginfo_mb)
{
dd_make_reverse_top(fplog, dd, mtop, vsite, inputrec, ddBondedChecking);