}
else
{
- doSDUpdateGeneral<SDUpdate::Combined>(sd,
- start,
- nrend,
- dt,
- nFreeze,
- invmass,
- ptype,
- cFREEZE,
- cTC,
- x,
- xprime,
- v,
- f,
- step,
- seed,
- DOMAINDECOMP(cr) ? cr->dd->globalAtomIndices.data() : nullptr);
+ doSDUpdateGeneral<SDUpdate::Combined>(
+ sd,
+ start,
+ nrend,
+ dt,
+ nFreeze,
+ invmass,
+ ptype,
+ cFREEZE,
+ cTC,
+ x,
+ xprime,
+ v,
+ f,
+ step,
+ seed,
+ haveDDAtomOrdering(*cr) ? cr->dd->globalAtomIndices.data() : nullptr);
}
}
nullptr,
step,
inputRecord.ld_seed,
- DOMAINDECOMP(cr) ? cr->dd->globalAtomIndices.data() : nullptr);
+ haveDDAtomOrdering(*cr) ? cr->dd->globalAtomIndices.data() : nullptr);
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
}
inputRecord.bd_fric,
sd_.bd_rf.data(),
inputRecord.ld_seed,
- DOMAINDECOMP(cr) ? cr->dd->globalAtomIndices.data() : nullptr);
+ haveDDAtomOrdering(*cr) ? cr->dd->globalAtomIndices.data() : nullptr);
break;
case (IntegrationAlgorithm::VV):
case (IntegrationAlgorithm::VVAK):