int i = 0;
for (const auto& dihedral : dih)
{
- newDihedrals.emplace_back(std::pair<InteractionOfType, int>(dihedral, i++));
+ newDihedrals.emplace_back(dihedral, i++);
}
}
else
if (was_dihedral_set_in_rtp(*dihedral) || dihedral == dih.begin()
|| !is_dihedral_on_same_bond(*dihedral, *(dihedral - 1)))
{
- newDihedrals.emplace_back(std::pair<InteractionOfType, int>(*dihedral, i++));
+ newDihedrals.emplace_back(*dihedral, i++);
}
}
}
if (!bStop)
{
/* Not broken out */
- improper.emplace_back(InteractionOfType(ai, {}, bondeds.s));
+ improper.emplace_back(ai, gmx::ArrayRef<const real>{}, bondeds.s);
}
}
while ((start < atoms->nr) && (atoms->atom[start].resind == i))