gmx::ArrayRef<const gmx::RangePartitioning> updateGroupingsPerMoleculeType,
real temperature,
int numHomeAtoms) :
- globalToLocalMap_(numHomeAtoms),
- mtop_(mtop)
+ globalToLocalMap_(numHomeAtoms), mtop_(mtop)
{
int firstUpdateGroupInMolecule = 0;
for (const auto& molblock : mtop.molblock)