snew(idef_.il[F_CONSTR].iatoms, constraints.size());
int maxType = 0;
- for (unsigned i = 0; i < constraints.size(); i++)
+ for (index i = 0; i < ssize(constraints); i++)
{
if (i % 3 == 0)
{
idef_.il[F_CONSTR].iatoms[i] = constraints.at(i);
}
snew(idef_.iparams, maxType + 1);
- for (unsigned i = 0; i < constraints.size()/3; i++)
+ for (index i = 0; i < ssize(constraints)/3; i++)
{
idef_.iparams[constraints.at(3*i)].constr.dA = constraintsR0.at(constraints.at(3*i));
idef_.iparams[constraints.at(3*i)].constr.dB = constraintsR0.at(constraints.at(3*i));
// Constraints and their parameters (global topology)
InteractionList interactionList;
interactionList.iatoms.resize(constraints.size());
- for (unsigned i = 0; i < constraints.size(); i++)
- {
- interactionList.iatoms.at(i) = constraints.at(i);
- }
+ std::copy(constraints.begin(), constraints.end(), interactionList.iatoms.begin());
InteractionList interactionListEmpty;
interactionListEmpty.iatoms.resize(0);