* do with checking graph!=nullptr, which should tell us if we made
* molecules whole before calling the current function.
*/
- GMX_RELEASE_ASSERT(fr->ePBC == epbcNONE || g != nullptr,
+ GMX_RELEASE_ASSERT(fr->pbcType == PbcType::No || g != nullptr,
"With orientation restraints molecules should be whole");
enerd->term[F_ORIRESDEV] = calc_orires_dev(ms, idef->il[F_ORIRES].nr, idef->il[F_ORIRES].iatoms,
idef->iparams, md, x, pbc_null, fcd, hist);
if ((idef->il[F_POSRES].nr > 0) || (idef->il[F_FBPOSRES].nr > 0))
{
/* Not enough flops to bother counting */
- set_pbc(&pbc_full, fr->ePBC, box);
+ set_pbc(&pbc_full, fr->pbcType, box);
}
calc_listed(cr, ms, wcycle, idef, x, hist, forceOutputs, fr, pbc, &pbc_full, graph, enerd, nrnb,
lambda, md, fcd, global_atom_index, stepWork);